4-(3-methoxyphenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride

Systemtic Name: 4-(3-methoxyphenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride Openeye Name: 4-(3-methoxyphenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride CAS Name: 4-[(3-methoxyphenyl)thio]-1-piperidin-1-iumcarboxylic acid chloride IUPAC Name: 4-(3-methoxyphenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride Traditional Name: 4-[(3-methoxyphenyl)thio]piperidin-1-ium-1-carboxylic acid chloride Formula: C13H18ClNO3S MolecularWeight: 303.80492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2CC[NH+](CC2)C(=O)O.[Cl-]

Isomeric SMILES

COC1=CC(=CC=C1)SC2CC[NH+](CC2)C(=O)O.[Cl-]

InChI

InChI=1S/C13H17NO3S.ClH/c1-17-10-3-2-4-12(9-10)18-11-5-7-14(8-6-11)13(15)16;/h2-4,9,11H,5-8H2,1H3,(H,15,16);1H