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

Systemtic Name: 5-nitro-7-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Openeye Name: 5-nitro-7-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate CAS Name: 5-nitro-7-[(4-phenyl-1-piperazin-1-iumyl)methyl]-8-quinolinolate IUPAC Name: 5-nitro-7-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Traditional Name: 5-nitro-7-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3/c25-20-15(13-18(24(26)27)17-7-4-8-21-19(17)20)14-22-9-11-23(12-10-22)16-5-2-1-3-6-16/h1-8,13,25H,9-12,14H2