methyl 2-(3,3-dimethyl-1-piperidin-1-ium-1-ylidene-butyl)sulfanylethanoate

Systemtic Name: methyl 2-(3,3-dimethyl-1-piperidin-1-ium-1-ylidene-butyl)sulfanylethanoate Openeye Name: methyl 2-(3,3-dimethyl-1-piperidin-1-ium-1-ylidene-butyl)sulfanylacetate CAS Name: 2-[[3,3-dimethyl-1-(1-piperidin-1-iumylidene)butyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethyl-1-piperidin-1-ium-1-ylidenebutyl)sulfanylacetate Traditional Name: 2-[(3,3-dimethyl-1-piperidin-1-ium-1-ylidene-butyl)thio]acetic acid methyl ester Formula: C14H26NO2S+ MolecularWeight: 272.42674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=[N+]1CCCCC1)SCC(=O)OC

Isomeric SMILES

CC(C)(C)CC(=[N+]1CCCCC1)SCC(=O)OC

InChI

InChI=1S/C14H26NO2S/c1-14(2,3)10-12(18-11-13(16)17-4)15-8-6-5-7-9-15/h5-11H2,1-4H3/q+1