ethyl 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-phenyl-1-[2-(p-tolylsulfonyl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 4-phenyl-1-(2-tosylethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H30NO4S+ MolecularWeight: 416.5536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO4S/c1-3-28-22(25)23(20-7-5-4-6-8-20)13-15-24(16-14-23)17-18-29(26,27)21-11-9-19(2)10-12-21/h4-12H,3,13-18H2,1-2H3/p+1