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

Systemtic Name: 3-(3-methoxypropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-methoxypropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(3-methoxypropyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxypropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-methoxypropyl)-2-(2-morpholin-4-ium-4-ylethylthio)quinazolin-4-one Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCOCC3

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCOCC3

InChI

InChI=1S/C18H25N3O3S/c1-23-11-4-7-21-17(22)15-5-2-3-6-16(15)19-18(21)25-14-10-20-8-12-24-13-9-20/h2-3,5-6H,4,7-14H2,1H3/p+1