2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: 2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-benzylphenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O/c1-17-9-8-10-18(2)24(17)16-22(25)23-21-14-7-6-13-20(21)15-19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3,(H,23,25)/p+1/t17-,18-/m0/s1