2-(3-azaniumylpropyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: 2-(3-azaniumylpropyl)-5-methyl-thiophene-3-carboxylate Openeye Name: 2-(3-azaniumylpropyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-(3-ammoniopropyl)-5-methyl-3-thiophenecarboxylate IUPAC Name: 2-(3-azaniumylpropyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-(3-ammoniopropyl)-5-methyl-3-thenoate Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)CCC[NH3+])C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)CCC[NH3+])C(=O)[O-]

InChI

InChI=1S/C9H13NO2S/c1-6-5-7(9(11)12)8(13-6)3-2-4-10/h5H,2-4,10H2,1H3,(H,11,12)