(2S)-3-methyl-2-[methyl(thiophen-2-ylmethyl)azaniumyl]butanoate

Systemtic Name: (2S)-3-methyl-2-[methyl(thiophen-2-ylmethyl)azaniumyl]butanoate Openeye Name: (2S)-3-methyl-2-[methyl(2-thienylmethyl)ammonio]butanoate CAS Name: (2S)-3-methyl-2-[methyl(thiophen-2-ylmethyl)ammonio]butanoate IUPAC Name: (2S)-3-methyl-2-[methyl(thiophen-2-ylmethyl)azaniumyl]butanoate Traditional Name: (2S)-3-methyl-2-[methyl(2-thenyl)ammonio]butyrate Formula: C11H17NO2S MolecularWeight: 227.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+](C)CC1=CC=CS1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+](C)CC1=CC=CS1

InChI

InChI=1S/C11H17NO2S/c1-8(2)10(11(13)14)12(3)7-9-5-4-6-15-9/h4-6,8,10H,7H2,1-3H3,(H,13,14)/t10-/m0/s1