2-[carboxymethyl-[3-octadecoxy-5-(3-pyridin-1-ium-1-ylpropoxy)phenyl]amino]ethanoic acid hydroxide

Systemtic Name: 2-[carboxymethyl-[3-octadecoxy-5-(3-pyridin-1-ium-1-ylpropoxy)phenyl]amino]ethanoic acid hydroxide Openeye Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(3-pyridin-1-ium-1-ylpropoxy)anilino]acetic acid hydroxide CAS Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-[3-(1-pyridin-1-iumyl)propoxy]anilino]acetic acid hydroxide IUPAC Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(3-pyridin-1-ium-1-ylpropoxy)anilino]acetic acid hydroxide Traditional Name: 2-[N-(carboxymethyl)-3-(3-pyridin-1-ium-1-ylpropoxy)-5-stearyloxy-anilino]acetic acid hydroxide Formula: C36H58N2O7 MolecularWeight: 630.85492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OCCC[N+]2=CC=CC=C2.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OCCC[N+]2=CC=CC=C2.[OH-]

InChI

InChI=1S/C36H56N2O6.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-43-33-27-32(38(30-35(39)40)31-36(41)42)28-34(29-33)44-26-21-24-37-22-18-17-19-23-37;/h17-19,22-23,27-29H,2-16,20-21,24-26,30-31H2,1H3,(H-,39,40,41,42);1H2