7-bromanyl-5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]quinolin-8-olate

Systemtic Name: 7-bromanyl-5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]quinolin-8-olate Openeye Name: 7-bromo-5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]quinolin-8-olate CAS Name: 7-bromo-5-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-8-quinolinolate IUPAC Name: 7-bromo-5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]quinolin-8-olate Traditional Name: 7-bromo-5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]quinolin-8-olate Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C4=C3C=CC=N4)[O-])Br

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C4=C3C=CC=N4)[O-])Br

InChI

InChI=1S/C21H22BrN3O2/c1-27-19-7-3-2-6-18(19)25-11-9-24(10-12-25)14-15-13-17(22)21(26)20-16(15)5-4-8-23-20/h2-8,13,26H,9-12,14H2,1H3