(3R)-N-(2,6-dimethylphenyl)-1-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-N-(2,6-dimethylphenyl)-1-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-benzyl-N-(2,6-dimethylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3R)-N-(2,6-dimethylphenyl)-1-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-benzyl-N-(2,6-dimethylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-benzyl-N-(2,6-dimethylphenyl)piperidin-1-ium-3-carboxamide Formula: C21H27N2O+ MolecularWeight: 323.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2CCC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O/c1-16-8-6-9-17(2)20(16)22-21(24)19-12-7-13-23(15-19)14-18-10-4-3-5-11-18/h3-6,8-11,19H,7,12-15H2,1-2H3,(H,22,24)/p+1/t19-/m1/s1