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

Systemtic Name: 2-oxidanyl-4-oxidanylidene-N-(2-piperazine-1,4-diium-1-ylethyl)-1-propyl-quinoline-3-carboxamide dichloride Openeye Name: 2-hydroxy-4-oxo-N-(2-piperazine-1,4-diium-1-ylethyl)-1-propyl-quinoline-3-carboxamide dichloride CAS Name: 2-hydroxy-4-oxo-N-[2-(1-piperazine-1,4-diiumyl)ethyl]-1-propyl-3-quinolinecarboxamide dichloride IUPAC Name: 2-hydroxy-4-oxo-N-(2-piperazine-1,4-diium-1-ylethyl)-1-propylquinoline-3-carboxamide dichloride Traditional Name: 2-hydroxy-4-keto-N-(2-piperazine-1,4-diium-1-ylethyl)-1-propyl-quinoline-3-carboxamide dichloride Formula: C19H28Cl2N4O3 MolecularWeight: 431.35662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC[NH+]3CC[NH2+]CC3.[Cl-].[Cl-]

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCC[NH+]3CC[NH2+]CC3.[Cl-].[Cl-]

InChI

InChI=1S/C19H26N4O3.2ClH/c1-2-10-23-15-6-4-3-5-14(15)17(24)16(19(23)26)18(25)21-9-13-22-11-7-20-8-12-22;;/h3-6,20,26H,2,7-13H2,1H3,(H,21,25);2*1H