(2S)-2-azaniumyl-4-(1,3-benzodioxol-5-yl)-2-methyl-butanoate

Systemtic Name: (2S)-2-azaniumyl-4-(1,3-benzodioxol-5-yl)-2-methyl-butanoate Openeye Name: (2S)-2-azaniumyl-4-(1,3-benzodioxol-5-yl)-2-methyl-butanoate CAS Name: (2S)-2-ammonio-4-(1,3-benzodioxol-5-yl)-2-methylbutanoate IUPAC Name: (2S)-2-azaniumyl-4-(1,3-benzodioxol-5-yl)-2-methylbutanoate Traditional Name: (2S)-2-ammonio-4-(1,3-benzodioxol-5-yl)-2-methyl-butyrate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)(C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@](CCC1=CC2=C(C=C1)OCO2)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H15NO4/c1-12(13,11(14)15)5-4-8-2-3-9-10(6-8)17-7-16-9/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)/t12-/m0/s1