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

Systemtic Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-acetamidophenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-acetamidobenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-3-22-17(21)15-5-4-10-19(12-15)11-14-6-8-16(9-7-14)18-13(2)20/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,20)/p+1/t15-/m0/s1