N-(3,4-dimethylphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-4-(o-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3,4-dimethylphenyl)-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-4-(2-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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