1-(3-bromanyl-4-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-(3-bromo-4-methoxyphenyl)-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-(3-bromo-4-methoxy-benzylidene)-(4-methylpiperazin-4-ium-1-yl)amine Formula: C13H19BrN3O+ MolecularWeight: 313.21346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C13H18BrN3O/c1-16-5-7-17(8-6-16)15-10-11-3-4-13(18-2)12(14)9-11/h3-4,9-10H,5-8H2,1-2H3/p+1/b15-10-