2-(4-methylphenyl)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(4-methylphenyl)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-(p-tolyl)acetamide CAS Name: 2-(4-methylphenyl)-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-(4-methylphenyl)acetamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-(p-tolyl)acetamide Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O/c1-17-9-11-18(12-10-17)14-21(24)22-20-8-5-13-23(16-20)15-19-6-3-2-4-7-19/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3,(H,22,24)/p+1/t20-/m0/s1