(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyrrolidine-3-carboxamide CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyrrolidine-3-carboxamide Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]pyrrolidine-3-carboxamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)[C@H]3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H26N4O4/c28-22-11-17(15-27(22)18-4-5-19-20(12-18)31-10-9-30-19)23(29)25-14-16-3-6-21(24-13-16)26-7-1-2-8-26/h3-6,12-13,17H,1-2,7-11,14-15H2,(H,25,29)/p+1/t17-/m0/s1