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

Systemtic Name: 3-(3-methylphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(m-tolyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(3-methylphenyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-methylphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(m-tolyl)-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3OS/c1-17-8-7-9-18(16-17)25-21(26)19-10-3-4-11-20(19)23-22(25)27-15-14-24-12-5-2-6-13-24/h3-4,7-11,16H,2,5-6,12-15H2,1H3/p+1