ethyl 3-(1-oxidanidylpyridin-1-ium-3-yl)-3-propylsulfanyl-propanoate

Systemtic Name: ethyl 3-(1-oxidanidylpyridin-1-ium-3-yl)-3-propylsulfanyl-propanoate Openeye Name: ethyl 3-(1-oxidopyridin-1-ium-3-yl)-3-propylsulfanyl-propanoate CAS Name: 3-(1-oxido-3-pyridin-1-iumyl)-3-(propylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-oxidopyridin-1-ium-3-yl)-3-propylsulfanylpropanoate Traditional Name: 3-(1-oxidopyridin-1-ium-3-yl)-3-(propylthio)propionic acid ethyl ester Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(CC(=O)OCC)C1=C[N+](=CC=C1)[O-]

Isomeric SMILES

CCCSC(CC(=O)OCC)C1=C[N+](=CC=C1)[O-]

InChI

InChI=1S/C13H19NO3S/c1-3-8-18-12(9-13(15)17-4-2)11-6-5-7-14(16)10-11/h5-7,10,12H,3-4,8-9H2,1-2H3