2-sulfanyl-3,4a,5,6,7,8-hexahydro-2H-quinazolin-1-ium-4-one

Systemtic Name: 2-sulfanyl-3,4a,5,6,7,8-hexahydro-2H-quinazolin-1-ium-4-one Openeye Name: 2-sulfanyl-3,4a,5,6,7,8-hexahydro-2H-quinazolin-1-ium-4-one CAS Name: 2-mercapto-3,4a,5,6,7,8-hexahydro-2H-quinazolin-1-ium-4-one IUPAC Name: 2-sulfanyl-3,4a,5,6,7,8-hexahydro-2H-quinazolin-1-ium-4-one Traditional Name: 2-mercapto-3,4a,5,6,7,8-hexahydro-2H-quinazolin-1-ium-4-one Formula: C8H13N2OS+ MolecularWeight: 185.26662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[NH+]C(NC(=O)C2C1)S

Isomeric SMILES

C1CCC2=[NH+]C(NC(=O)C2C1)S

InChI

InChI=1S/C8H12N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5,8,12H,1-4H2,(H,10,11)/p+1