1-cyclopropyl-7-(3-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(3-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(3-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(3-methyl-1-piperazin-4-iumyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(3-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-7-(3-methylpiperazin-4-ium-1-yl)-6-nitro-quinoline-3-carboxylic acid Formula: C18H21N4O5+ MolecularWeight: 373.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC[NH2+]1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5/c1-10-8-20(5-4-19-10)15-7-14-12(6-16(15)22(26)27)17(23)13(18(24)25)9-21(14)11-2-3-11/h6-7,9-11,19H,2-5,8H2,1H3,(H,24,25)/p+1