(3S)-1-(1,3-benzodioxol-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-(1,3-benzodioxol-5-yl)-5-keto-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyrrolidine-3-carboxamide Formula: C22H25N4O5+ MolecularWeight: 425.4577

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)[C@H]3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O5/c27-21-9-16(13-26(21)17-2-3-18-19(10-17)31-14-30-18)22(28)24-12-15-1-4-20(23-11-15)25-5-7-29-8-6-25/h1-4,10-11,16H,5-9,12-14H2,(H,24,28)/p+1/t16-/m0/s1