1-(2,5-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(2,5-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(2,5-dimethoxyphenyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(2,5-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(2,5-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (E)-(2,5-dimethoxybenzylidene)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-17-4-6-18(7-5-17)16-23-10-12-24(13-11-23)22-15-19-14-20(25-2)8-9-21(19)26-3/h4-9,14-15H,10-13,16H2,1-3H3/p+1/b22-15+