ethyl 4-(4-chlorophenyl)sulfonyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)sulfonyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-benzyl-4-(4-chlorophenyl)sulfonyl-piperidin-1-ium-4-carboxylate CAS Name: 4-(4-chlorophenyl)sulfonyl-1-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(4-chlorophenyl)sulfonylpiperidin-1-ium-4-carboxylate Traditional Name: 1-benzyl-4-(4-chlorophenyl)sulfonyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H25ClNO4S+ MolecularWeight: 422.9455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO4S/c1-2-27-20(24)21(28(25,26)19-10-8-18(22)9-11-19)12-14-23(15-13-21)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3/p+1