N-[(2R)-butan-2-yl]-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide

Systemtic Name: N-[(2R)-butan-2-yl]-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-[(1R)-1-methylpropyl]-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-[(2R)-butan-2-yl]-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-[(2R)-butan-2-yl]-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 3-keto-N-[(1R)-1-methylpropyl]-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NC(C)CC

Isomeric SMILES

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N[C@H](C)CC

InChI

InChI=1S/C20H24N4O2/c1-4-11-23-12-16(19(25)21-14(3)5-2)18-17(13-23)20(26)24(22-18)15-9-7-6-8-10-15/h6-10,12-14H,4-5,11H2,1-3H3,(H,21,25)/p+1/t14-/m1/s1