6-morpholin-4-yl-3-[[4-(4-piperidin-1-ium-1-ylpiperidin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-morpholin-4-yl-3-[[4-(4-piperidin-1-ium-1-ylpiperidin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-morpholino-3-[[4-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-(4-morpholinyl)-3-[[4-[oxo-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-morpholin-4-yl-3-[[4-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-morpholino-3-[4-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C30H38N5O3S+ MolecularWeight: 548.71942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)N6CCOCC6)NC4=S

Isomeric SMILES

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)N6CCOCC6)NC4=S

InChI

InChI=1S/C30H37N5O3S/c36-28(34-14-10-24(11-15-34)32-12-2-1-3-13-32)23-6-4-22(5-7-23)21-35-29(37)26-20-25(33-16-18-38-19-17-33)8-9-27(26)31-30(35)39/h4-9,20,24H,1-3,10-19,21H2,(H,31,39)/p+1