6-[butyl(ethyl)sulfamoyl]-2-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-4-carboxamide

Systemtic Name: 6-[butyl(ethyl)sulfamoyl]-2-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-4-carboxamide Openeye Name: 6-[butyl(ethyl)sulfamoyl]-2-oxo-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-4-carboxamide CAS Name: 6-[butyl(ethyl)sulfamoyl]-2-oxo-N-(3-pyridin-1-iumylmethyl)-1H-quinoline-4-carboxamide IUPAC Name: 6-[butyl(ethyl)sulfamoyl]-2-oxo-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-4-carboxamide Traditional Name: 6-[butyl(ethyl)sulfamoyl]-2-keto-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-4-carboxamide Formula: C22H27N4O4S+ MolecularWeight: 443.53918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NCC3=C[NH+]=CC=C3

Isomeric SMILES

CCCCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NCC3=C[NH+]=CC=C3

InChI

InChI=1S/C22H26N4O4S/c1-3-5-11-26(4-2)31(29,30)17-8-9-20-18(12-17)19(13-21(27)25-20)22(28)24-15-16-7-6-10-23-14-16/h6-10,12-14H,3-5,11,15H2,1-2H3,(H,24,28)(H,25,27)/p+1