ethyl (3S)-1-[[4-(phenylcarbamoyl)phenyl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[4-(phenylcarbamoyl)phenyl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[4-(phenylcarbamoyl)phenyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[4-[anilino(oxo)methyl]phenyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[4-(phenylcarbamoyl)phenyl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[4-(phenylcarbamoyl)benzyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-2-27-22(26)19-7-6-14-24(16-19)15-17-10-12-18(13-11-17)21(25)23-20-8-4-3-5-9-20/h3-5,8-13,19H,2,6-7,14-16H2,1H3,(H,23,25)/p+1/t19-/m0/s1