(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C21H28N3O+ MolecularWeight: 338.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17-8-6-7-11-20(17)24-14-12-23(13-15-24)18(2)21(25)22-16-19-9-4-3-5-10-19/h3-11,18H,12-16H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1