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

Systemtic Name: (2R)-2-[[3-(4-butoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[3-(4-butoxyphenyl)-3-oxo-propyl]ammonio]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[3-(4-butoxyphenyl)-3-oxopropyl]ammonio]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[3-(4-butoxyphenyl)-3-oxopropyl]azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[3-(4-butoxyphenyl)-3-keto-propyl]ammonio]-4-(methylthio)butyrate Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CCSC)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CC[NH2+][C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C18H27NO4S/c1-3-4-12-23-15-7-5-14(6-8-15)17(20)9-11-19-16(18(21)22)10-13-24-2/h5-8,16,19H,3-4,9-13H2,1-2H3,(H,21,22)/t16-/m1/s1