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

Systemtic Name: 3-(3-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-27-18-9-7-8-17(16-18)25-21(26)19-10-3-4-11-20(19)23-22(25)28-15-14-24-12-5-2-6-13-24/h3-4,7-11,16H,2,5-6,12-15H2,1H3/p+1