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

Systemtic Name: 1-(3-chlorophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(3-chlorophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: 1-(3-chlorophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(3-chlorophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (E)-(3-chlorobenzylidene)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amine Formula: C20H25ClN3+ MolecularWeight: 342.8856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3/c1-16-6-7-19(17(2)12-16)15-23-8-10-24(11-9-23)22-14-18-4-3-5-20(21)13-18/h3-7,12-14H,8-11,15H2,1-2H3/p+1/b22-14+