NCH

P-NITROPHENYL-PHOSPHOCHOLINE

Created:	1999-12-09
Last modified:	2011-06-04

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1 entries where NCH is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	38
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	6

2D diagram of NCH

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Chemical Component Summary
Name	P-NITROPHENYL-PHOSPHOCHOLINE
Systematic Name (OpenEye OEToolkits)	2-[hydroxy-(4-nitrophenoxy)phosphoryl]oxyethyl-trimethyl-azanium
Formula	C₁₁ H₁₈ N₂ O₆ P
Molecular Weight	305.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)c1ccc(OP(=O)(OCC[N+](C)(C)C)O)cc1
SMILES	CACTVS	3.341	C[N+](C)(C)CCO[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCOP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.341	C[N+](C)(C)CCO[P@@](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCO[P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C11H17N2O6P/c1-13(2,3)8-9-18-20(16,17)19-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3/p+1
InChIKey	InChI	1.03	NAIXASFEPQPICN-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	445100
ChEBI	CHEBI:55394

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