methyl (2S)-1-[1-[4-[(4-methoxyphenyl)carbonylamino]phenyl]piperidin-4-yl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[1-[4-[(4-methoxyphenyl)carbonylamino]phenyl]piperidin-4-yl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[1-[4-[(4-methoxybenzoyl)amino]phenyl]-4-piperidyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[1-[4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]-4-piperidinyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[1-[4-[(4-methoxybenzoyl)amino]phenyl]piperidin-4-yl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[1-[4-(p-anisoylamino)phenyl]-4-piperidyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCCC4C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCC[C@H]4C(=O)OC

InChI

InChI=1S/C25H31N3O4/c1-31-22-11-5-18(6-12-22)24(29)26-19-7-9-20(10-8-19)27-16-13-21(14-17-27)28-15-3-4-23(28)25(30)32-2/h5-12,21,23H,3-4,13-17H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1