1-(5-bromanyl-2-methoxy-phenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: 1-(5-bromo-2-methoxyphenyl)-N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(5-bromo-2-methoxy-benzylidene)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amine Formula: C21H27BrN3O+ MolecularWeight: 417.36258

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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)Br)OC)C

Isomeric SMILES

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

InChI

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