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

Systemtic Name: 3-butyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-butyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-butyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-butyl-2-(2-morpholin-4-ium-4-ylethylthio)quinazolin-4-one Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCOCC3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCOCC3

InChI

InChI=1S/C18H25N3O2S/c1-2-3-8-21-17(22)15-6-4-5-7-16(15)19-18(21)24-14-11-20-9-12-23-13-10-20/h4-7H,2-3,8-14H2,1H3/p+1