ethyl 2-(2-naphthalen-2-yl-1-piperidin-1-ium-1-ylidene-ethyl)sulfanylethanoate

Systemtic Name: ethyl 2-(2-naphthalen-2-yl-1-piperidin-1-ium-1-ylidene-ethyl)sulfanylethanoate Openeye Name: ethyl 2-[2-(2-naphthyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylacetate CAS Name: 2-[[2-(2-naphthalenyl)-1-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-naphthalen-2-yl-1-piperidin-1-ium-1-ylideneethyl)sulfanylacetate Traditional Name: 2-[[2-(2-naphthyl)-1-piperidin-1-ium-1-ylidene-ethyl]thio]acetic acid ethyl ester Formula: C21H26NO2S+ MolecularWeight: 356.50164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=[N+]1CCCCC1)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)CSC(=[N+]1CCCCC1)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26NO2S/c1-2-24-21(23)16-25-20(22-12-6-3-7-13-22)15-17-10-11-18-8-4-5-9-19(18)14-17/h4-5,8-11,14H,2-3,6-7,12-13,15-16H2,1H3/q+1