3-(pyridin-4-ylmethylazaniumyl)-3-thiophen-2-yl-propanoate

Systemtic Name: 3-(pyridin-4-ylmethylazaniumyl)-3-thiophen-2-yl-propanoate Openeye Name: 3-(4-pyridylmethylammonio)-3-(2-thienyl)propanoate CAS Name: 3-(pyridin-4-ylmethylammonio)-3-thiophen-2-ylpropanoate IUPAC Name: 3-(pyridin-4-ylmethylazaniumyl)-3-thiophen-2-ylpropanoate Traditional Name: 3-(4-pyridylmethylammonio)-3-(2-thienyl)propionate Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S/c16-13(17)8-11(12-2-1-7-18-12)15-9-10-3-5-14-6-4-10/h1-7,11,15H,8-9H2,(H,16,17)