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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-N-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(3-bromo-4-methoxyphenyl)-N-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(3-bromo-4-methoxy-benzylidene)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]amine Formula: C23H25BrN3O+ MolecularWeight: 439.3681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NN2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N\N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)Br

InChI

InChI=1S/C23H24BrN3O/c1-28-23-10-9-18(15-22(23)24)16-25-27-13-11-26(12-14-27)17-20-7-4-6-19-5-2-3-8-21(19)20/h2-10,15-16H,11-14,17H2,1H3/p+1/b25-16-