ethyl 1-[3-oxidanylidene-3-[(4-phenylmethoxyphenyl)amino]propyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-oxidanylidene-3-[(4-phenylmethoxyphenyl)amino]propyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(4-benzyloxyanilino)-3-oxo-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[3-oxo-3-(4-phenylmethoxyanilino)propyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-oxo-3-(4-phenylmethoxyanilino)propyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(4-benzoxyanilino)-3-keto-propyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C30H35N2O4+ MolecularWeight: 487.6099

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H34N2O4/c1-2-35-29(34)30(25-11-7-4-8-12-25)18-21-32(22-19-30)20-17-28(33)31-26-13-15-27(16-14-26)36-23-24-9-5-3-6-10-24/h3-16H,2,17-23H2,1H3,(H,31,33)/p+1