7-(3-pyrrolidin-1-ium-1-ylpropyl)-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one

Systemtic Name: 7-(3-pyrrolidin-1-ium-1-ylpropyl)-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Openeye Name: 7-(3-pyrrolidin-1-ium-1-ylpropyl)-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one CAS Name: 7-[3-(1-pyrrolidin-1-iumyl)propyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one IUPAC Name: 7-(3-pyrrolidin-1-ium-1-ylpropyl)-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Traditional Name: 7-(3-pyrrolidin-1-ium-1-ylpropyl)-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4

Isomeric SMILES

C1CC[NH+](C1)CCCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4

InChI

InChI=1S/C16H19N3O3S/c20-15-11-8-13-14(22-10-21-13)9-12(11)17-16(23)19(15)7-3-6-18-4-1-2-5-18/h8-9H,1-7,10H2,(H,17,23)/p+1