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

Systemtic Name: ethyl 2-[2-(4-tert-butylphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(4-tert-butylphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-tert-butylphenyl)-1-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-tert-butylphenyl)-1-piperidin-1-ium-1-ylideneethyl]sulfanylacetate Traditional Name: 2-[[2-(4-tert-butylphenyl)-1-piperidin-1-ium-1-ylidene-ethyl]thio]acetic acid ethyl ester Formula: C21H32NO2S+ MolecularWeight: 362.54928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32NO2S/c1-5-24-20(23)16-25-19(22-13-7-6-8-14-22)15-17-9-11-18(12-10-17)21(2,3)4/h9-12H,5-8,13-16H2,1-4H3/q+1