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

Systemtic Name: N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-4-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2,5-dimethylphenyl)-4-(4-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C)C

InChI

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