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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (E)-(3-bromo-4-methoxy-benzylidene)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amine Formula: C21H27BrN3O+ MolecularWeight: 417.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O/c1-16-4-6-19(17(2)12-16)15-24-8-10-25(11-9-24)23-14-18-5-7-21(26-3)20(22)13-18/h4-7,12-14H,8-11,15H2,1-3H3/p+1/b23-14+