4-[(thiophen-2-ylmethylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(thiophen-2-ylmethylazaniumyl)methyl]benzoate Openeye Name: 4-[(2-thienylmethylammonio)methyl]benzoate CAS Name: 4-[(thiophen-2-ylmethylammonio)methyl]benzoate IUPAC Name: 4-[(thiophen-2-ylmethylazaniumyl)methyl]benzoate Traditional Name: 4-[(2-thenylammonio)methyl]benzoate Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO2S/c15-13(16)11-5-3-10(4-6-11)8-14-9-12-2-1-7-17-12/h1-7,14H,8-9H2,(H,15,16)