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

Systemtic Name: 3-(4-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(4-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(4-methoxyphenyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(4-methoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(4-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=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCCCC4

Isomeric SMILES

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

InChI

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