ethyl 1-(phenylmethyl)-4-(phenylsulfonyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-4-(phenylsulfonyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(benzenesulfonyl)-1-benzyl-piperidin-1-ium-4-carboxylate CAS Name: 4-(benzenesulfonyl)-1-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-1-benzylpiperidin-1-ium-4-carboxylate Traditional Name: 1-benzyl-4-besyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H26NO4S+ MolecularWeight: 388.50044

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-2-26-20(23)21(27(24,25)19-11-7-4-8-12-19)13-15-22(16-14-21)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3/p+1