1-(5-bromanyl-2-methoxy-phenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(5-bromo-2-methoxyphenyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (E)-(5-bromo-2-methoxy-benzylidene)-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C17H20BrN4O+ MolecularWeight: 376.2709

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=NN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=N/N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19BrN4O/c1-23-16-6-5-15(18)12-14(16)13-20-22-10-8-21(9-11-22)17-4-2-3-7-19-17/h2-7,12-13H,8-11H2,1H3/p+1/b20-13+