2-(phenylmethyl)sulfinylethylazanium; pyridine-3-carboxylate

Systemtic Name: 2-(phenylmethyl)sulfinylethylazanium; pyridine-3-carboxylate Openeye Name: 2-benzylsulfinylethylammonium; pyridine-3-carboxylate CAS Name: 2-(phenylmethyl)sulfinylethylammonium; 3-pyridinecarboxylate IUPAC Name: 2-benzylsulfinylethylazanium; pyridine-3-carboxylate Traditional Name: 2-benzylsulfinylethylammonium; nicotinate Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NOS.C6H5NO2/c10-6-7-12(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)