2-[(2-methoxyphenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(2-methoxyphenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(2-methoxyphenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[(2-methoxyphenyl)methylthio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2-methoxyphenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-(o-anisylthio)quinazolin-4-one Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C23H27N3O3S/c1-28-21-10-5-2-7-18(21)17-30-23-24-20-9-4-3-8-19(20)22(27)26(23)12-6-11-25-13-15-29-16-14-25/h2-5,7-10H,6,11-17H2,1H3/p+1