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

Systemtic Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-acetamidophenyl)methyl]-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-acetamidobenzyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O4/c1-3-30-24(29)25(15-17-31-23-8-5-4-6-9-23)14-7-16-27(19-25)18-21-10-12-22(13-11-21)26-20(2)28/h4-6,8-13H,3,7,14-19H2,1-2H3,(H,26,28)/p+1/t25-/m0/s1