(4-methoxyphenyl)-(2-pyridin-1-ium-3-ylpiperidin-1-yl)phosphinate

Systemtic Name: (4-methoxyphenyl)-(2-pyridin-1-ium-3-ylpiperidin-1-yl)phosphinate Openeye Name: (4-methoxyphenyl)-(2-pyridin-1-ium-3-yl-1-piperidyl)phosphinate CAS Name: (4-methoxyphenyl)-[2-(3-pyridin-1-iumyl)-1-piperidinyl]phosphinate IUPAC Name: (4-methoxyphenyl)-(2-pyridin-1-ium-3-ylpiperidin-1-yl)phosphinate Traditional Name: (4-methoxyphenyl)-(2-pyridin-1-ium-3-ylpiperidino)phosphinate Formula: C17H21N2O3P MolecularWeight: 332.334001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)P(=O)(N2CCCCC2C3=C[NH+]=CC=C3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)P(=O)(N2CCCCC2C3=C[NH+]=CC=C3)[O-]

InChI

InChI=1S/C17H21N2O3P/c1-22-15-7-9-16(10-8-15)23(20,21)19-12-3-2-6-17(19)14-5-4-11-18-13-14/h4-5,7-11,13,17H,2-3,6,12H2,1H3,(H,20,21)