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

Systemtic Name: 5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-nitro-quinolin-8-olate Openeye Name: 5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-nitro-quinolin-8-olate CAS Name: 5-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-nitro-8-quinolinolate IUPAC Name: 5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-nitroquinolin-8-olate Traditional Name: 5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-nitro-quinolin-8-olate Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-29-19-7-3-2-6-17(19)24-11-9-23(10-12-24)14-15-13-18(25(27)28)21(26)20-16(15)5-4-8-22-20/h2-8,13,26H,9-12,14H2,1H3