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

Systemtic Name: N-[(2S)-butan-2-yl]-5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: 5-methyl-N-[(1S)-1-methylpropyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-[(2S)-butan-2-yl]-5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-[(2S)-butan-2-yl]-5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 3-keto-5-methyl-N-[(1S)-1-methylpropyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2/c1-4-12(2)19-17(23)14-10-21(3)11-15-16(14)20-22(18(15)24)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,19,23)/p+1/t12-/m0/s1