1-(4-ethylphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(4-ethylphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(4-ethylphenyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(4-ethylphenyl)-N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(4-ethylphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (E)-(4-ethylbenzylidene)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=NN2CC[NH+](CC2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)/C=N/N2CC[NH+](CC2)CC3=CC=C(C=C3)C

InChI

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