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4-[(thiophen-3-ylmethylazaniumyl)methyl]benzoate

4-[(thiophen-3-ylmethylazaniumyl)methyl]benzoate

Systemtic Name:4-[(thiophen-3-ylmethylazaniumyl)methyl]benzoate
Openeye Name:4-[(3-thienylmethylammonio)methyl]benzoate
CAS Name:4-[(3-thiophenylmethylammonio)methyl]benzoate
IUPAC Name:4-[(thiophen-3-ylmethylazaniumyl)methyl]benzoate
Traditional Name:4-[(3-thenylammonio)methyl]benzoate
Formula: C13H13NO2S
MolecularWeight: 247.31282
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CC2=CSC=C2)C(=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CC2=CSC=C2)C(=O)[O-]


InChI

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


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