N-(3,4-dimethylphenyl)-1-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-1-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-benzyl-N-(3,4-dimethylphenyl)piperidin-1-ium-4-carboxamide CAS Name: N-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-(3,4-dimethylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-(3,4-dimethylphenyl)piperidin-1-ium-4-carboxamide Formula: C21H27N2O+ MolecularWeight: 323.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O/c1-16-8-9-20(14-17(16)2)22-21(24)19-10-12-23(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,22,24)/p+1