4-[[(3-methylthiophen-2-yl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-methylthiophen-2-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3-methyl-2-thienyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-methyl-2-thiophenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-methylthiophen-2-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3-methyl-2-thienyl)methylammonio]methyl]benzoate Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H15NO2S/c1-10-6-7-18-13(10)9-15-8-11-2-4-12(5-3-11)14(16)17/h2-7,15H,8-9H2,1H3,(H,16,17)