5-chloranyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-chloranyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C19H20ClN3O3/c20-15-9-14(10-16-18(15)26-8-7-25-16)19(24)22-12-13-3-4-17(21-11-13)23-5-1-2-6-23/h3-4,9-11H,1-2,5-8,12H2,(H,22,24)/p+1