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

Systemtic Name: (3R)-N-(2,6-dimethylphenyl)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N-(2,6-dimethylphenyl)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxamide CAS Name: (3R)-N-(2,6-dimethylphenyl)-1-(3-phenylpropyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N-(2,6-dimethylphenyl)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3R)-N-(2,6-dimethylphenyl)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxamide Formula: C23H31N2O+ MolecularWeight: 351.50504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O/c1-18-9-6-10-19(2)22(18)24-23(26)21-14-8-16-25(17-21)15-7-13-20-11-4-3-5-12-20/h3-6,9-12,21H,7-8,13-17H2,1-2H3,(H,24,26)/p+1/t21-/m1/s1