4-methylsulfanyl-2-(quinazolin-3-ium-4-ylamino)butanoic acid chloride

Systemtic Name: 4-methylsulfanyl-2-(quinazolin-3-ium-4-ylamino)butanoic acid chloride Openeye Name: 4-methylsulfanyl-2-(quinazolin-3-ium-4-ylamino)butanoic acid chloride CAS Name: 4-(methylthio)-2-(4-quinazolin-3-iumylamino)butanoic acid chloride IUPAC Name: 4-methylsulfanyl-2-(quinazolin-3-ium-4-ylamino)butanoic acid chloride Traditional Name: 4-(methylthio)-2-(quinazolin-3-ium-4-ylamino)butyric acid chloride Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=[NH+]C=NC2=CC=CC=C21.[Cl-]

Isomeric SMILES

CSCCC(C(=O)O)NC1=[NH+]C=NC2=CC=CC=C21.[Cl-]

InChI

InChI=1S/C13H15N3O2S.ClH/c1-19-7-6-11(13(17)18)16-12-9-4-2-3-5-10(9)14-8-15-12;/h2-5,8,11H,6-7H2,1H3,(H,17,18)(H,14,15,16);1H