cyclohexyl-[3-(1-oxidanyl-3-oxidanylidene-4H-isoquinolin-2-ium-2-yl)propoxysulfonyl]azanium chloride

Systemtic Name: cyclohexyl-[3-(1-oxidanyl-3-oxidanylidene-4H-isoquinolin-2-ium-2-yl)propoxysulfonyl]azanium chloride Openeye Name: cyclohexyl-[3-(1-hydroxy-3-oxo-4H-isoquinolin-2-ium-2-yl)propoxysulfonyl]ammonium chloride CAS Name: cyclohexyl-[3-(1-hydroxy-3-oxo-4H-isoquinolin-2-ium-2-yl)propoxysulfonyl]ammonium chloride IUPAC Name: cyclohexyl-[3-(1-hydroxy-3-oxo-4H-isoquinolin-2-ium-2-yl)propoxysulfonyl]azanium chloride Traditional Name: cyclohexyl-[3-(1-hydroxy-3-keto-4H-isoquinolin-2-ium-2-yl)propoxysulfonyl]ammonium chloride Formula: C18H26ClN2O5S+ MolecularWeight: 417.92744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]S(=O)(=O)OCCC[N+]2=C(C3=CC=CC=C3CC2=O)O.[Cl-]

Isomeric SMILES

C1CCC(CC1)[NH2+]S(=O)(=O)OCCC[N+]2=C(C3=CC=CC=C3CC2=O)O.[Cl-]

InChI

InChI=1S/C18H24N2O5S.ClH/c21-17-13-14-7-4-5-10-16(14)18(22)20(17)11-6-12-25-26(23,24)19-15-8-2-1-3-9-15;/h4-5,7,10,15,19H,1-3,6,8-9,11-13H2;1H/p+1