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

Systemtic Name: 2-[(4-methoxyphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid Openeye Name: 2-[(4-methoxyphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylacetic acid CAS Name: 2-[[(4-methoxyphenyl)-(1-piperidin-1-iumylidene)methyl]thio]acetic acid IUPAC Name: 2-[(4-methoxyphenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid Traditional Name: 2-[[(4-methoxyphenyl)-piperidin-1-ium-1-ylidene-methyl]thio]acetic acid Formula: C15H20NO3S+ MolecularWeight: 294.3892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=[N+]2CCCCC2)SCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=[N+]2CCCCC2)SCC(=O)O

InChI

InChI=1S/C15H19NO3S/c1-19-13-7-5-12(6-8-13)15(20-11-14(17)18)16-9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3/p+1