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

Systemtic Name: 3-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-methyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-methyl-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCCCC3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCCCC3

InChI

InChI=1S/C16H21N3OS/c1-18-15(20)13-7-3-4-8-14(13)17-16(18)21-12-11-19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-12H2,1H3/p+1