ethyl 2-[1-piperidin-1-ium-1-ylidene-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-piperidin-1-ium-1-ylidene-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanylethanoate Openeye Name: ethyl 2-[1-piperidin-1-ium-1-ylidene-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanylacetate CAS Name: 2-[[1-(1-piperidin-1-iumylidene)-2-(3,4,5-trimethoxyphenyl)ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-piperidin-1-ium-1-ylidene-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanylacetate Traditional Name: 2-[[1-piperidin-1-ium-1-ylidene-2-(3,4,5-trimethoxyphenyl)ethyl]thio]acetic acid ethyl ester Formula: C20H30NO5S+ MolecularWeight: 396.5209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30NO5S/c1-5-26-19(22)14-27-18(21-9-7-6-8-10-21)13-15-11-16(23-2)20(25-4)17(12-15)24-3/h11-12H,5-10,13-14H2,1-4H3/q+1