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

Systemtic Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonyl-piperidin-1-ium-4-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidin-1-ium-4-carboxylate Traditional Name: 1-benzyl-4-(4-methoxyphenyl)sulfonyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H28NO5S+ MolecularWeight: 418.52642

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-3-28-21(24)22(29(25,26)20-11-9-19(27-2)10-12-20)13-15-23(16-14-22)17-18-7-5-4-6-8-18/h4-12H,3,13-17H2,1-2H3/p+1