2-(cyclohexylmethylsulfanyl)-1-phenacyl-spiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclohexane]-4-one

Systemtic Name: 2-(cyclohexylmethylsulfanyl)-1-phenacyl-spiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclohexane]-4-one Openeye Name: 2-(cyclohexylmethylsulfanyl)-1-phenacyl-spiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclohexane]-4-one CAS Name: 2-(cyclohexylmethylthio)-1-phenacyl-4-spiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclohexane]one IUPAC Name: 2-(cyclohexylmethylsulfanyl)-1-phenacylspiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclohexane]-4-one Traditional Name: 2-(cyclohexylmethylthio)-1-phenacyl-spiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclohexane]-4-one Formula: C32H37N2O2S+ MolecularWeight: 513.71338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSC2=NC(=O)C3C(=[N+]2CC(=O)C4=CC=CC=C4)C5=CC=CC=C5CC36CCCCC6

Isomeric SMILES

C1CCC(CC1)CSC2=NC(=O)C3C(=[N+]2CC(=O)C4=CC=CC=C4)C5=CC=CC=C5CC36CCCCC6

InChI

InChI=1S/C32H37N2O2S/c35-27(24-14-6-2-7-15-24)21-34-29-26-17-9-8-16-25(26)20-32(18-10-3-11-19-32)28(29)30(36)33-31(34)37-22-23-12-4-1-5-13-23/h2,6-9,14-17,23,28H,1,3-5,10-13,18-22H2/q+1