(2S)-N-(2,5-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-acetamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H28N2O/c1-16-11-12-18(3)20(14-16)23-22(25)21(19-9-5-4-6-10-19)24-13-7-8-17(2)15-24/h4-6,9-12,14,17,21H,7-8,13,15H2,1-3H3,(H,23,25)/p+1/t17-,21-/m0/s1