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

Systemtic Name: 2-[(4-acetamidophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid Openeye Name: 2-[(4-acetamidophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylacetic acid CAS Name: 2-[[(4-acetamidophenyl)-(1-piperidin-1-iumylidene)methyl]thio]acetic acid IUPAC Name: 2-[(4-acetamidophenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid Traditional Name: 2-[[(4-acetamidophenyl)-piperidin-1-ium-1-ylidene-methyl]thio]acetic acid Formula: C16H21N2O3S+ MolecularWeight: 321.41454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=[N+]2CCCCC2)SCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=[N+]2CCCCC2)SCC(=O)O

InChI

InChI=1S/C16H20N2O3S/c1-12(19)17-14-7-5-13(6-8-14)16(22-11-15(20)21)18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3,(H,20,21)/p+1