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

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-oxidanylidene-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-oxo-6-(1-piperidylsulfonyl)-1H-quinoline-4-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-oxo-6-(1-piperidinylsulfonyl)-1H-quinoline-4-carboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-keto-6-piperidinosulfonyl-1H-quinoline-4-carboxamide Formula: C23H33N4O4S+ MolecularWeight: 461.59752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CCC[NH+](CC1)CCNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H32N4O4S/c28-22-17-20(23(29)24-10-15-26-11-4-1-2-5-12-26)19-16-18(8-9-21(19)25-22)32(30,31)27-13-6-3-7-14-27/h8-9,16-17H,1-7,10-15H2,(H,24,29)(H,25,28)/p+1