N,N-dimethyl-2-(2-methylphenyl)-1-(phenylmethyl)piperazin-1-ium-1-carboxamide

Systemtic Name: N,N-dimethyl-2-(2-methylphenyl)-1-(phenylmethyl)piperazin-1-ium-1-carboxamide Openeye Name: 1-benzyl-N,N-dimethyl-2-(o-tolyl)piperazin-1-ium-1-carboxamide CAS Name: N,N-dimethyl-2-(2-methylphenyl)-1-(phenylmethyl)-1-piperazin-1-iumcarboxamide IUPAC Name: 1-benzyl-N,N-dimethyl-2-(2-methylphenyl)piperazin-1-ium-1-carboxamide Traditional Name: 1-benzyl-N,N-dimethyl-2-(o-tolyl)piperazin-1-ium-1-carboxamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CNCC[N+]2(CC3=CC=CC=C3)C(=O)N(C)C

Isomeric SMILES

CC1=CC=CC=C1C2CNCC[N+]2(CC3=CC=CC=C3)C(=O)N(C)C

InChI

InChI=1S/C21H28N3O/c1-17-9-7-8-12-19(17)20-15-22-13-14-24(20,21(25)23(2)3)16-18-10-5-4-6-11-18/h4-12,20,22H,13-16H2,1-3H3/q+1