5-(5-acetyloxy-6-oxidanidyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)pentane-1-sulfonate

Systemtic Name: 5-(5-acetyloxy-6-oxidanidyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)pentane-1-sulfonate Openeye Name: 5-(5-acetoxy-6-oxido-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)pentane-1-sulfonate CAS Name: 5-(5-acetyloxy-6-oxido-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)-1-pentanesulfonate IUPAC Name: 5-(5-acetyloxy-6-oxido-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)pentane-1-sulfonate Traditional Name: 5-(5-acetoxy-6-oxido-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium-6-yl)pentane-1-sulfonate Formula: C17H22NO8S- MolecularWeight: 400.42348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2=CC3=C(C=C2CC[N+]1(CCCCCS(=O)(=O)[O-])[O-])OCO3

Isomeric SMILES

CC(=O)OC1C2=CC3=C(C=C2CC[N+]1(CCCCCS(=O)(=O)[O-])[O-])OCO3

InChI

InChI=1S/C17H23NO8S/c1-12(19)26-17-14-10-16-15(24-11-25-16)9-13(14)5-7-18(17,20)6-3-2-4-8-27(21,22)23/h9-10,17H,2-8,11H2,1H3,(H,21,22,23)/p-1