1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxylate Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C12H17NO2S/c1-9-4-7-16-11(9)8-13-5-2-10(3-6-13)12(14)15/h4,7,10H,2-3,5-6,8H2,1H3,(H,14,15)