ethyl 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperidin-1-ium-4-carboxylate Traditional Name: 1-(4-chlorobenzyl)-4-(4-chlorophenyl)sulfonyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H24Cl2NO4S+ MolecularWeight: 457.39056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2NO4S/c1-2-28-20(25)21(29(26,27)19-9-7-18(23)8-10-19)11-13-24(14-12-21)15-16-3-5-17(22)6-4-16/h3-10H,2,11-15H2,1H3/p+1