3-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-methyl-2-(2-morpholin-4-ium-4-ylethylthio)quinazolin-4-one Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCOCC3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCOCC3

InChI

InChI=1S/C15H19N3O2S/c1-17-14(19)12-4-2-3-5-13(12)16-15(17)21-11-8-18-6-9-20-10-7-18/h2-5H,6-11H2,1H3/p+1