ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-piperidin-1-ium-1-ylidene-propanoate

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-piperidin-1-ium-1-ylidene-propanoate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-piperidin-1-ium-1-ylidene-propanoate CAS Name: 3-[(2-ethoxy-2-oxoethyl)thio]-3-(1-piperidin-1-iumylidene)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)sulfanyl-3-piperidin-1-ium-1-ylidenepropanoate Traditional Name: 3-[(2-ethoxy-2-keto-ethyl)thio]-3-piperidin-1-ium-1-ylidene-propionic acid ethyl ester Formula: C14H24NO4S+ MolecularWeight: 302.40966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=[N+]1CCCCC1)SCC(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=[N+]1CCCCC1)SCC(=O)OCC

InChI

InChI=1S/C14H24NO4S/c1-3-18-13(16)10-12(15-8-6-5-7-9-15)20-11-14(17)19-4-2/h3-11H2,1-2H3/q+1