(E)-2-(4-methoxyphenyl)carbonyl-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]prop-2-enenitrile

Systemtic Name: (E)-2-(4-methoxyphenyl)carbonyl-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]prop-2-enenitrile Openeye Name: (E)-3-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-(4-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-2-[(4-methoxyphenyl)-oxomethyl]-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-2-propenenitrile IUPAC Name: (E)-3-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-(4-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-p-anisoyl-acrylonitrile Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=CNC2CC[NH+](CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C/NC2CC[NH+](CC2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C23H25N3O2/c1-28-22-9-7-19(8-10-22)23(27)20(15-24)16-25-21-11-13-26(14-12-21)17-18-5-3-2-4-6-18/h2-10,16,21,25H,11-14,17H2,1H3/p+1/b20-16+