N-(1,3-benzodioxol-5-yl)-1-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-pyrrolidin-1-ylpyridin-1-ium-3-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-[2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-pyrrolidin-1-ylpyridin-1-ium-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-pyrrolidinopyridin-1-ium-3-carbonyl)isonipecotamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O4/c28-22(25-17-5-6-19-20(14-17)31-15-30-19)16-7-12-27(13-8-16)23(29)18-4-3-9-24-21(18)26-10-1-2-11-26/h3-6,9,14,16H,1-2,7-8,10-13,15H2,(H,25,28)/p+1