(3S)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxidanylidene-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxidanylidene-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-5-oxo-1-(2-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: (3S)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-5-oxo-1-(2-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-(2-pyridylmethyl)pyrrolidine-3-carboxamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3CC(=O)N(C3)CC4=CC=CC=N4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)[C@H]3CC(=O)N(C3)CC4=CC=CC=N4

InChI

InChI=1S/C21H25N5O3/c27-20-11-17(14-26(20)15-18-3-1-2-6-22-18)21(28)24-13-16-4-5-19(23-12-16)25-7-9-29-10-8-25/h1-6,12,17H,7-11,13-15H2,(H,24,28)/p+1/t17-/m0/s1