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

Systemtic Name: 3-(3-methoxypropyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-methoxypropyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(3-methoxypropyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxypropyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-methoxypropyl)-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCCCC3

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCCCC3

InChI

InChI=1S/C19H27N3O2S/c1-24-14-7-12-22-18(23)16-8-3-4-9-17(16)20-19(22)25-15-13-21-10-5-2-6-11-21/h3-4,8-9H,2,5-7,10-15H2,1H3/p+1