3-cyclohexyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-cyclohexyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-cyclohexyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-cyclohexyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-cyclohexyl-2-(2-morpholin-4-ium-4-ylethylthio)quinazolin-4-one Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4

InChI

InChI=1S/C20H27N3O2S/c24-19-17-8-4-5-9-18(17)21-20(23(19)16-6-2-1-3-7-16)26-15-12-22-10-13-25-14-11-22/h4-5,8-9,16H,1-3,6-7,10-15H2/p+1