(3S,6S)-N-(4-acetamidophenyl)-6-methyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-N-(4-acetamidophenyl)-6-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-N-(4-acetamidophenyl)-6-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-N-(4-acetamidophenyl)-6-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-N-(4-acetamidophenyl)-6-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-N-(4-acetamidophenyl)-6-methyl-piperidin-1-ium-3-carboxamide Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C15H21N3O2/c1-10-3-4-12(9-16-10)15(20)18-14-7-5-13(6-8-14)17-11(2)19/h5-8,10,12,16H,3-4,9H2,1-2H3,(H,17,19)(H,18,20)/p+1/t10-,12-/m0/s1