N-(3,5-dimethylphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-4-(o-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3,5-dimethylphenyl)-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3,5-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=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=CC(=CC(=C3)C)C

InChI

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