ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-benzyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-acetamidophenyl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-benzylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-acetamidobenzyl)-3-benzyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3/c1-3-29-23(28)24(16-20-8-5-4-6-9-20)14-7-15-26(18-24)17-21-10-12-22(13-11-21)25-19(2)27/h4-6,8-13H,3,7,14-18H2,1-2H3,(H,25,27)/p+1/t24-/m0/s1