1-(4-methylphenyl)sulfonyl-N-pyridin-1-ium-3-yl-piperidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-pyridin-1-ium-3-yl-piperidine-3-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-pyridin-1-ium-3-yl-piperidine-3-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(3-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-pyridin-1-ium-3-ylpiperidine-3-carboxamide Traditional Name: N-pyridin-1-ium-3-yl-1-tosyl-nipecotamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C[NH+]=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C[NH+]=CC=C3

InChI

InChI=1S/C18H21N3O3S/c1-14-6-8-17(9-7-14)25(23,24)21-11-3-4-15(13-21)18(22)20-16-5-2-10-19-12-16/h2,5-10,12,15H,3-4,11,13H2,1H3,(H,20,22)/p+1