1-(4-methylphenyl)sulfonyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperidine-4-carboxamide Traditional Name: N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]-1-tosyl-isonipecotamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

InChI

InChI=1S/C23H30N4O3S/c1-18-4-6-21(7-5-18)31(29,30)27-14-9-20(10-15-27)23(28)25-17-19-8-11-24-22(16-19)26-12-2-3-13-26/h4-8,11,16,20H,2-3,9-10,12-15,17H2,1H3,(H,25,28)/p+1