2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]benzamide Formula: C26H26N3O4+ MolecularWeight: 444.50234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3=CC=CC=C3C(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3=CC=CC=C3C(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H25N3O4/c30-25(19-7-8-22-23(16-19)33-14-13-32-22)20-5-1-2-6-21(20)26(31)28-17-18-9-10-27-24(15-18)29-11-3-4-12-29/h1-2,5-10,15-16H,3-4,11-14,17H2,(H,28,31)/p+1