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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-17-9-7-8-12-20(17)24-15-13-23(14-16-24)18(2)21(25)22(3)19-10-5-4-6-11-19/h4-12,18H,13-16H2,1-3H3/p+1/t18-/m1/s1