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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)[NH2+]C3=C(CCCC3)C(=N2)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2(CC1)[NH2+]C3=C(CCCC3)C(=N2)SCC(=O)C4=CC=CC=C4

InChI

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