1-methyl-2-oxidanyl-4-oxidanylidene-N-(2-piperazine-1,4-diium-1-ylethyl)quinoline-3-carboxamide

Systemtic Name: 1-methyl-2-oxidanyl-4-oxidanylidene-N-(2-piperazine-1,4-diium-1-ylethyl)quinoline-3-carboxamide Openeye Name: 2-hydroxy-1-methyl-4-oxo-N-(2-piperazine-1,4-diium-1-ylethyl)quinoline-3-carboxamide CAS Name: 2-hydroxy-1-methyl-4-oxo-N-[2-(1-piperazine-1,4-diiumyl)ethyl]-3-quinolinecarboxamide IUPAC Name: 2-hydroxy-1-methyl-4-oxo-N-(2-piperazine-1,4-diium-1-ylethyl)quinoline-3-carboxamide Traditional Name: 2-hydroxy-4-keto-1-methyl-N-(2-piperazine-1,4-diium-1-ylethyl)quinoline-3-carboxamide Formula: C17H24N4O3+2 MolecularWeight: 332.39746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC[NH+]3CC[NH2+]CC3

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C17H22N4O3/c1-20-13-5-3-2-4-12(13)15(22)14(17(20)24)16(23)19-8-11-21-9-6-18-7-10-21/h2-5,18,24H,6-11H2,1H3,(H,19,23)/p+2