ethyl 2-[2-(3-methoxyphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-(3-methoxyphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(3-methoxyphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methoxyphenyl)-1-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-methoxyphenyl)-1-piperidin-1-ium-1-ylideneethyl]sulfanylacetate Traditional Name: 2-[[2-(3-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(=CC=C2)OC

Isomeric SMILES

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

InChI

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