2-[(4-methylphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid

Systemtic Name: 2-[(4-methylphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid Openeye Name: 2-[piperidin-1-ium-1-ylidene(p-tolyl)methyl]sulfanylacetic acid CAS Name: 2-[[(4-methylphenyl)-(1-piperidin-1-iumylidene)methyl]thio]acetic acid IUPAC Name: 2-[(4-methylphenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid Traditional Name: 2-[[piperidin-1-ium-1-ylidene(p-tolyl)methyl]thio]acetic acid Formula: C15H20NO2S+ MolecularWeight: 278.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=[N+]2CCCCC2)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=[N+]2CCCCC2)SCC(=O)O

InChI

InChI=1S/C15H19NO2S/c1-12-5-7-13(8-6-12)15(19-11-14(17)18)16-9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3/p+1