3-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylthio)quinazolin-4-one Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4)OC

InChI

InChI=1S/C22H25N3O4S/c1-27-19-8-7-16(15-20(19)28-2)25-21(26)17-5-3-4-6-18(17)23-22(25)30-14-11-24-9-12-29-13-10-24/h3-8,15H,9-14H2,1-2H3/p+1