(3,4-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)C

InChI

InChI=1S/C21H26N2O/c1-16-8-9-19(14-18(16)3)21(24)23-12-10-22(11-13-23)15-20-7-5-4-6-17(20)2/h4-9,14H,10-13,15H2,1-3H3/p+1