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

Systemtic Name: 1-(3-bromophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(3-bromophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: 1-(3-bromophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(3-bromophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (E)-(3-bromobenzylidene)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amine Formula: C20H25BrN3+ MolecularWeight: 387.3366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3/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+