1-(4-bromophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine

Systemtic Name: 1-(4-bromophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine Openeye Name: 1-(4-bromophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine CAS Name: 1-(4-bromophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]ethanimine IUPAC Name: 1-(4-bromophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine Traditional Name: (Z)-1-(4-bromophenyl)ethylidene-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amine Formula: C21H27BrN3+ MolecularWeight: 401.36318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3/c1-16-4-5-20(17(2)14-16)15-24-10-12-25(13-11-24)23-18(3)19-6-8-21(22)9-7-19/h4-9,14H,10-13,15H2,1-3H3/p+1/b23-18-