1-phenyl-2-spiro[5,6,7,8-tetrahydro-1H-quinazolin-3-ium-4,1'-cyclohexane]-2-ylsulfanyl-ethanone

Systemtic Name: 1-phenyl-2-spiro[5,6,7,8-tetrahydro-1H-quinazolin-3-ium-4,1'-cyclohexane]-2-ylsulfanyl-ethanone Openeye Name: 1-phenyl-2-spiro[5,6,7,8-tetrahydro-1H-quinazolin-3-ium-4,1'-cyclohexane]-2-ylsulfanyl-ethanone CAS Name: 1-phenyl-2-(2-spiro[5,6,7,8-tetrahydro-1H-quinazolin-3-ium-4,1'-cyclohexane]ylthio)ethanone IUPAC Name: 1-phenyl-2-spiro[5,6,7,8-tetrahydro-1H-quinazolin-3-ium-4,1'-cyclohexane]-2-ylsulfanylethanone Traditional Name: 1-phenyl-2-(spiro[5,6,7,8-tetrahydro-1H-quinazolin-3-ium-4,1'-cyclohexane]-2-ylthio)ethanone Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C3=C(CCCC3)NC(=[NH+]2)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2(CC1)C3=C(CCCC3)NC(=[NH+]2)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H26N2OS/c24-19(16-9-3-1-4-10-16)15-25-20-22-18-12-6-5-11-17(18)21(23-20)13-7-2-8-14-21/h1,3-4,9-10H,2,5-8,11-15H2,(H,22,23)/p+1