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

Systemtic Name: 2-[(4-hydroxyphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid Openeye Name: 2-[(4-hydroxyphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylacetic acid CAS Name: 2-[[(4-hydroxyphenyl)-(1-piperidin-1-iumylidene)methyl]thio]acetic acid IUPAC Name: 2-[(4-hydroxyphenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid Traditional Name: 2-[[(4-hydroxyphenyl)-piperidin-1-ium-1-ylidene-methyl]thio]acetic acid Formula: C14H18NO3S+ MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(C2=CC=C(C=C2)O)SCC(=O)O)CC1

Isomeric SMILES

C1CC[N+](=C(C2=CC=C(C=C2)O)SCC(=O)O)CC1

InChI

InChI=1S/C14H17NO3S/c16-12-6-4-11(5-7-12)14(19-10-13(17)18)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,17,18)/p+1