2-[(3,4-dichlorophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid Openeye Name: 2-[(3,4-dichlorophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylacetic acid CAS Name: 2-[[(3,4-dichlorophenyl)-(1-piperidin-1-iumylidene)methyl]thio]acetic acid IUPAC Name: 2-[(3,4-dichlorophenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid Traditional Name: 2-[[(3,4-dichlorophenyl)-piperidin-1-ium-1-ylidene-methyl]thio]acetic acid Formula: C14H16Cl2NO2S+ MolecularWeight: 333.25334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2NO2S/c15-11-5-4-10(8-12(11)16)14(20-9-13(18)19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2/p+1