2-(phenylmethylsulfanyl)ethylazanium; pyridine-3-carboxylate

Systemtic Name: 2-(phenylmethylsulfanyl)ethylazanium; pyridine-3-carboxylate Openeye Name: 2-benzylsulfanylethylammonium; pyridine-3-carboxylate CAS Name: 2-(phenylmethylthio)ethylammonium; 3-pyridinecarboxylate IUPAC Name: 2-benzylsulfanylethylazanium; pyridine-3-carboxylate Traditional Name: 2-(benzylthio)ethylammonium; nicotinate Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC[NH3+].C1=CC(=CN=C1)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC[NH3+].C1=CC(=CN=C1)C(=O)[O-]

InChI

InChI=1S/C9H13NS.C6H5NO2/c10-6-7-11-8-9-4-2-1-3-5-9;8-6(9)5-2-1-3-7-4-5/h1-5H,6-8,10H2;1-4H,(H,8,9)