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

Systemtic Name: 1-(phenylsulfonyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]isonipecotamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3S/c27-22(24-17-18-8-11-23-21(16-18)25-12-4-5-13-25)19-9-14-26(15-10-19)30(28,29)20-6-2-1-3-7-20/h1-3,6-8,11,16,19H,4-5,9-10,12-15,17H2,(H,24,27)/p+1