N-[2-(azepan-1-ium-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-6-(diethylsulfamoyl)-4-keto-1H-quinoline-3-carboxamide Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC[NH+]3CCCCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC[NH+]3CCCCCC3

InChI

InChI=1S/C22H32N4O4S/c1-3-26(4-2)31(29,30)17-9-10-20-18(15-17)21(27)19(16-24-20)22(28)23-11-14-25-12-7-5-6-8-13-25/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,23,28)(H,24,27)/p+1