2,2-dimethylpropanoyl 3-(6-chloranylnaphthalen-2-yl)sulfanyl-1-(methylamino)piperidin-1-ium-1-carboxylate

Systemtic Name: 2,2-dimethylpropanoyl 3-(6-chloranylnaphthalen-2-yl)sulfanyl-1-(methylamino)piperidin-1-ium-1-carboxylate Openeye Name: 2,2-dimethylpropanoyl 3-[(6-chloro-2-naphthyl)sulfanyl]-1-(methylamino)piperidin-1-ium-1-carboxylate CAS Name: 3-[(6-chloro-2-naphthalenyl)thio]-1-(methylamino)-1-piperidin-1-iumcarboxylic acid (2,2-dimethyl-1-oxopropyl) ester IUPAC Name: 2,2-dimethylpropanoyl 3-(6-chloronaphthalen-2-yl)sulfanyl-1-(methylamino)piperidin-1-ium-1-carboxylate Traditional Name: 3-[(6-chloro-2-naphthyl)thio]-1-(methylamino)piperidin-1-ium-1-carboxylic acid pivaloyl ester Formula: C22H28ClN2O3S+ MolecularWeight: 435.98732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(=O)[N+]1(CCCC(C1)SC2=CC3=C(C=C2)C=C(C=C3)Cl)NC

Isomeric SMILES

CC(C)(C)C(=O)OC(=O)[N+]1(CCCC(C1)SC2=CC3=C(C=C2)C=C(C=C3)Cl)NC

InChI

InChI=1S/C22H28ClN2O3S/c1-22(2,3)20(26)28-21(27)25(24-4)11-5-6-19(14-25)29-18-10-8-15-12-17(23)9-7-16(15)13-18/h7-10,12-13,19,24H,5-6,11,14H2,1-4H3/q+1