N-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide iodide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide iodide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide iodide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide iodide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide iodide Traditional Name: 5-keto-N-(3-morpholin-4-ium-4-ylpropyl)-6,11-dihydroinden[1,2-c]isoquinoline-9-sulfonamide iodide Formula: C23H26IN3O4S MolecularWeight: 567.43971

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C5=CC=CC=C5C(=O)N4.[I-]

Isomeric SMILES

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C5=CC=CC=C5C(=O)N4.[I-]

InChI

InChI=1S/C23H25N3O4S.HI/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26;/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27);1H