3-cyclohexyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-cyclohexyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-cyclohexyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-cyclohexyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-cyclohexyl-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCCCC4

InChI

InChI=1S/C21H29N3OS/c25-20-18-11-5-6-12-19(18)22-21(24(20)17-9-3-1-4-10-17)26-16-15-23-13-7-2-8-14-23/h5-6,11-12,17H,1-4,7-10,13-16H2/p+1