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

Systemtic Name: 3-oxidanylidene-2-phenyl-5-propyl-N-(thiophen-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: 3-oxo-2-phenyl-5-propyl-N-(2-thienylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: 3-oxo-2-phenyl-5-propyl-N-(thiophen-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: 3-oxo-2-phenyl-5-propyl-N-(thiophen-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 3-keto-2-phenyl-5-propyl-N-(2-thenyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C21H21N4O2S+ MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCC4=CC=CS4

Isomeric SMILES

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H20N4O2S/c1-2-10-24-13-17(20(26)22-12-16-9-6-11-28-16)19-18(14-24)21(27)25(23-19)15-7-4-3-5-8-15/h3-9,11,13-14H,2,10,12H2,1H3,(H,22,26)/p+1