ethyl 2-(2-phenyl-1-piperidin-1-ium-1-ylidene-ethyl)sulfanylethanoate

Systemtic Name: ethyl 2-(2-phenyl-1-piperidin-1-ium-1-ylidene-ethyl)sulfanylethanoate Openeye Name: ethyl 2-(2-phenyl-1-piperidin-1-ium-1-ylidene-ethyl)sulfanylacetate CAS Name: 2-[[2-phenyl-1-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-phenyl-1-piperidin-1-ium-1-ylideneethyl)sulfanylacetate Traditional Name: 2-[(2-phenyl-1-piperidin-1-ium-1-ylidene-ethyl)thio]acetic acid ethyl ester Formula: C17H24NO2S+ MolecularWeight: 306.44296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=[N+]1CCCCC1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC(=[N+]1CCCCC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H24NO2S/c1-2-20-17(19)14-21-16(18-11-7-4-8-12-18)13-15-9-5-3-6-10-15/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3/q+1