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

Systemtic Name: 2-[1-(4-tert-butylphenyl)-2-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[1-(4-tert-butylphenyl)-2-piperidin-1-ium-1-ylidene-ethyl]sulfanylacetic acid CAS Name: 2-[[1-(4-tert-butylphenyl)-2-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid IUPAC Name: 2-[1-(4-tert-butylphenyl)-2-piperidin-1-ium-1-ylideneethyl]sulfanylacetic acid Traditional Name: 2-[[1-(4-tert-butylphenyl)-2-piperidin-1-ium-1-ylidene-ethyl]thio]acetic acid Formula: C19H28NO2S+ MolecularWeight: 334.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C=[N+]2CCCCC2)SCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C=[N+]2CCCCC2)SCC(=O)O

InChI

InChI=1S/C19H27NO2S/c1-19(2,3)16-9-7-15(8-10-16)17(23-14-18(21)22)13-20-11-5-4-6-12-20/h7-10,13,17H,4-6,11-12,14H2,1-3H3/p+1