1-(1,3-benzodioxol-5-ylcarbonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(1,3-benzodioxole-5-carbonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzodioxole-5-carbonyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 4-piperidin-1-ium-1-yl-1-piperonyloyl-isonipecotamide Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C19H25N3O4/c20-18(24)19(22-8-2-1-3-9-22)6-10-21(11-7-19)17(23)14-4-5-15-16(12-14)26-13-25-15/h4-5,12H,1-3,6-11,13H2,(H2,20,24)/p+1