3-[3-(azepan-1-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(1-azepan-1-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1CCC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C17H23N3OS/c21-16-14-8-3-4-9-15(14)18-17(22)20(16)13-7-12-19-10-5-1-2-6-11-19/h3-4,8-9H,1-2,5-7,10-13H2,(H,18,22)/p+1