2-[[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1H-quinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1H-quinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[6-(azepan-1-ylsulfonyl)-2-oxo-1H-quinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[6-(1-azepanylsulfonyl)-2-oxo-1H-quinolin-4-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[6-(azepan-1-ylsulfonyl)-2-oxo-1H-quinoline-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[6-(azepan-1-ylsulfonyl)-2-keto-1H-quinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H28N4O4S/c1-23(2)12-9-21-20(26)17-14-19(25)22-18-8-7-15(13-16(17)18)29(27,28)24-10-5-3-4-6-11-24/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,21,26)(H,22,25)/p+1