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

Systemtic Name: 2-[(4-dimethylaminophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid Openeye Name: 2-[(4-dimethylaminophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylacetic acid CAS Name: 2-[[(4-dimethylaminophenyl)-(1-piperidin-1-iumylidene)methyl]thio]acetic acid IUPAC Name: 2-[(4-dimethylaminophenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid Traditional Name: 2-[[(4-dimethylaminophenyl)-piperidin-1-ium-1-ylidene-methyl]thio]acetic acid Formula: C16H23N2O2S+ MolecularWeight: 307.43102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2S/c1-17(2)14-8-6-13(7-9-14)16(21-12-15(19)20)18-10-4-3-5-11-18/h6-9H,3-5,10-12H2,1-2H3/p+1