2-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-[2-(4-morpholin-4-iumyl)ethylamino]-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(2-morpholin-4-ium-4-ylethylamino)ethyl]thio]nicotinate Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C14H19N3O4S/c18-12(15-4-5-17-6-8-21-9-7-17)10-22-13-11(14(19)20)2-1-3-16-13/h1-3H,4-10H2,(H,15,18)(H,19,20)