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

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-methoxy-phenyl)methanimine CAS Name: 1-(5-bromo-2-methoxyphenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-methoxyphenyl)methanimine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-(5-bromo-2-methoxy-benzylidene)amine Formula: C19H23BrN3O+ MolecularWeight: 389.30942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O/c1-24-19-8-7-18(20)13-17(19)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+