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

Systemtic Name: 6-morpholin-4-yl-3-(3-piperidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-morpholino-3-(3-piperidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6-(4-morpholinyl)-3-[3-(1-piperidin-1-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-morpholin-4-yl-3-(3-piperidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-morpholino-3-(3-piperidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

InChI

InChI=1S/C20H28N4O2S/c25-19-17-15-16(23-11-13-26-14-12-23)5-6-18(17)21-20(27)24(19)10-4-9-22-7-2-1-3-8-22/h5-6,15H,1-4,7-14H2,(H,21,27)/p+1