1-(3-bromanyl-4-methoxy-phenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-bromo-4-methoxy-phenyl)methanimine CAS Name: 1-(3-bromo-4-methoxyphenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-bromo-4-methoxyphenyl)methanimine Traditional Name: (Z)-(4-benzylpiperazin-4-ium-1-yl)-(3-bromo-4-methoxy-benzylidene)amine Formula: C19H23BrN3O+ MolecularWeight: 389.30942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NN2CC[NH+](CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N\N2CC[NH+](CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C19H22BrN3O/c1-24-19-8-7-17(13-18(19)20)14-21-23-11-9-22(10-12-23)15-16-5-3-2-4-6-16/h2-8,13-14H,9-12,15H2,1H3/p+1/b21-14-