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

Systemtic Name: 1-ethyl-2-oxidanyl-4-oxidanylidene-N-(2-piperazine-1,4-diium-1-ylethyl)quinoline-3-carboxamide dichloride Openeye Name: 1-ethyl-2-hydroxy-4-oxo-N-(2-piperazine-1,4-diium-1-ylethyl)quinoline-3-carboxamide dichloride CAS Name: 1-ethyl-2-hydroxy-4-oxo-N-[2-(1-piperazine-1,4-diiumyl)ethyl]-3-quinolinecarboxamide dichloride IUPAC Name: 1-ethyl-2-hydroxy-4-oxo-N-(2-piperazine-1,4-diium-1-ylethyl)quinoline-3-carboxamide dichloride Traditional Name: 1-ethyl-2-hydroxy-4-keto-N-(2-piperazine-1,4-diium-1-ylethyl)quinoline-3-carboxamide dichloride Formula: C18H26Cl2N4O3 MolecularWeight: 417.33004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC[NH+]3CC[NH2+]CC3.[Cl-].[Cl-]

Isomeric SMILES

CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC[NH+]3CC[NH2+]CC3.[Cl-].[Cl-]

InChI

InChI=1S/C18H24N4O3.2ClH/c1-2-22-14-6-4-3-5-13(14)16(23)15(18(22)25)17(24)20-9-12-21-10-7-19-8-11-21;;/h3-6,19,25H,2,7-12H2,1H3,(H,20,24);2*1H