2-[[3-(4-chlorophenyl)-3-oxidanylidene-propyl]azaniumyl]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[[3-(4-chlorophenyl)-3-oxidanylidene-propyl]azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: 2-[[3-(4-chlorophenyl)-3-oxo-propyl]ammonio]-4-methylsulfanyl-butanoate CAS Name: 2-[[3-(4-chlorophenyl)-3-oxopropyl]ammonio]-4-(methylthio)butanoate IUPAC Name: 2-[[3-(4-chlorophenyl)-3-oxopropyl]azaniumyl]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-(4-chlorophenyl)-3-keto-propyl]ammonio]-4-(methylthio)butyrate Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])[NH2+]CCC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CSCCC(C(=O)[O-])[NH2+]CCC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClNO3S/c1-20-9-7-12(14(18)19)16-8-6-13(17)10-2-4-11(15)5-3-10/h2-5,12,16H,6-9H2,1H3,(H,18,19)