ethyl 2-[2-(4-methoxyphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-(4-methoxyphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(4-methoxyphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-methoxyphenyl)-1-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxyphenyl)-1-piperidin-1-ium-1-ylideneethyl]sulfanylacetate Traditional Name: 2-[[2-(4-methoxyphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]thio]acetic acid ethyl ester Formula: C18H26NO3S+ MolecularWeight: 336.46894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26NO3S/c1-3-22-18(20)14-23-17(19-11-5-4-6-12-19)13-15-7-9-16(21-2)10-8-15/h7-10H,3-6,11-14H2,1-2H3/q+1