2-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide

Systemtic Name: 2-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide Openeye Name: 2-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide CAS Name: 2-oxo-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide IUPAC Name: 2-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide Traditional Name: 2-keto-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)[NH+]4CCCCC4

InChI

InChI=1S/C21H31N3O3S/c25-20-10-7-17-15-18(8-9-19(17)23-20)28(26,27)22-16-21(11-3-1-4-12-21)24-13-5-2-6-14-24/h8-9,15,22H,1-7,10-14,16H2,(H,23,25)/p+1