2-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-(2-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[[2-(2-methoxyphenyl)-2-oxoethyl]thio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-(2-methoxyphenyl)ethyl]thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C24H28N3O4S+ MolecularWeight: 454.56182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O4S/c1-30-22-10-5-3-8-19(22)21(28)17-32-24-25-20-9-4-2-7-18(20)23(29)27(24)12-6-11-26-13-15-31-16-14-26/h2-5,7-10H,6,11-17H2,1H3/p+1