4-(4-nitrophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride

Systemtic Name: 4-(4-nitrophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride Openeye Name: 4-(4-nitrophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride CAS Name: 4-[(4-nitrophenyl)thio]-1-piperidin-1-iumcarboxylic acid chloride IUPAC Name: 4-(4-nitrophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride Traditional Name: 4-[(4-nitrophenyl)thio]piperidin-1-ium-1-carboxylic acid chloride Formula: C12H15ClN2O4S MolecularWeight: 318.7765

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1SC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O.[Cl-]

Isomeric SMILES

C1C[NH+](CCC1SC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O.[Cl-]

InChI

InChI=1S/C12H14N2O4S.ClH/c15-12(16)13-7-5-11(6-8-13)19-10-3-1-9(2-4-10)14(17)18;/h1-4,11H,5-8H2,(H,15,16);1H