ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-acetamidophenyl)methyl]-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-acetamidobenzyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H31N2O4+ MolecularWeight: 363.47114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-4-26-19(24)20(11-13-25-3)10-5-12-22(15-20)14-17-6-8-18(9-7-17)21-16(2)23/h6-9H,4-5,10-15H2,1-3H3,(H,21,23)/p+1/t20-/m0/s1