2-[2-methylpropyl(thiophen-2-ylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[2-methylpropyl(thiophen-2-ylmethyl)azaniumyl]ethanoate Openeye Name: 2-[isobutyl(2-thienylmethyl)ammonio]acetate CAS Name: 2-[2-methylpropyl(thiophen-2-ylmethyl)ammonio]acetate IUPAC Name: 2-[2-methylpropyl(thiophen-2-ylmethyl)azaniumyl]acetate Traditional Name: 2-[isobutyl(2-thenyl)ammonio]acetate Formula: C11H17NO2S MolecularWeight: 227.32318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO2S/c1-9(2)6-12(8-11(13)14)7-10-4-3-5-15-10/h3-5,9H,6-8H2,1-2H3,(H,13,14)