methyl 1-[5-[ethyl(phenyl)sulfamoyl]pyridin-1-ium-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-[ethyl(phenyl)sulfamoyl]pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-[ethyl(phenyl)sulfamoyl]pyridin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-[ethyl(phenyl)sulfamoyl]-2-pyridin-1-iumyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-[ethyl(phenyl)sulfamoyl]pyridin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-[ethyl(phenyl)sulfamoyl]pyridin-1-ium-2-yl]isonipecotic acid methyl ester Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-3-23(17-7-5-4-6-8-17)28(25,26)18-9-10-19(21-15-18)22-13-11-16(12-14-22)20(24)27-2/h4-10,15-16H,3,11-14H2,1-2H3/p+1