TAX

(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM

Created:	2000-08-14
Last modified:	2021-03-01

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Chemical Details
Formal Charge	1
Atom Count	58
Chiral Atom Count	0
Bond Count	60
Aromatic Bond Count	18

2D diagram of TAX

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Chemical Component Summary
Name	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM
Synonyms	CIS FORM OF TAMOXIFEN
Systematic Name (OpenEye OEToolkits)	2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-azanium
Formula	C₂₆ H₃₀ N O
Molecular Weight	372.523
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1ccc(cc1)\C(c2ccccc2)=C(\c3ccccc3)CC)CC[NH+](C)C
SMILES	CACTVS	3.341	CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCC[NH+](C)C)cc3
SMILES	OpenEye OEToolkits	1.5.0	CCC(=C(c1ccccc1)c2ccc(cc2)OCC[NH+](C)C)c3ccccc3
Canonical SMILES	CACTVS	3.341	CC\C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCC[NH+](C)C)cc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3
InChI	InChI	1.03	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+
InChIKey	InChI	1.03	NKANXQFJJICGDU-OCEACIFDSA-O

Related Resource References

Resource Name	Reference
PubChem	5289438
CCDC/CSD	FUPDOJ, FUPDOJ01

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