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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-homoveratryl-2-(2-morpholin-4-ium-4-ylethylthio)quinazolin-4-one Formula: C24H30N3O4S+ MolecularWeight: 456.5777

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4)OC

InChI

InChI=1S/C24H29N3O4S/c1-29-21-8-7-18(17-22(21)30-2)9-10-27-23(28)19-5-3-4-6-20(19)25-24(27)32-16-13-26-11-14-31-15-12-26/h3-8,17H,9-16H2,1-2H3/p+1