6-morpholin-4-yl-3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-morpholin-4-yl-3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-morpholino-3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6-(4-morpholinyl)-3-[3-(1-pyrrolidin-1-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-morpholin-4-yl-3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-morpholino-3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

Isomeric SMILES

C1CC[NH+](C1)CCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

InChI

InChI=1S/C19H26N4O2S/c24-18-16-14-15(22-10-12-25-13-11-22)4-5-17(16)20-19(26)23(18)9-3-8-21-6-1-2-7-21/h4-5,14H,1-3,6-13H2,(H,20,26)/p+1