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

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-methylphenyl)methanimine Openeye Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(m-tolyl)methanimine CAS Name: N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-1-(3-methylphenyl)methanimine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-methylphenyl)methanimine Traditional Name: (Z)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-(3-methylbenzylidene)amine Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)N=CC3=CC(=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)/N=C\C3=CC(=CC=C3)C)C

InChI

InChI=1S/C21H27N3/c1-17-5-4-6-20(14-17)15-22-24-11-9-23(10-12-24)16-21-8-7-18(2)13-19(21)3/h4-8,13-15H,9-12,16H2,1-3H3/p+1/b22-15-