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

Systemtic Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-ethyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCCCC3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCCCC3

InChI

InChI=1S/C17H23N3OS/c1-2-20-16(21)14-8-4-5-9-15(14)18-17(20)22-13-12-19-10-6-3-7-11-19/h4-5,8-9H,2-3,6-7,10-13H2,1H3/p+1