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

Systemtic Name: 3-oxidanylidene-2-phenyl-N-(3-propan-2-yloxypropyl)-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(3-isopropoxypropyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: 3-oxo-2-phenyl-N-(3-propan-2-yloxypropyl)-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: 3-oxo-2-phenyl-N-(3-propan-2-yloxypropyl)-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(3-isopropoxypropyl)-3-keto-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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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)NCCCOC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-4-12-25-14-18(21(27)23-11-8-13-29-16(2)3)20-19(15-25)22(28)26(24-20)17-9-6-5-7-10-17/h5-7,9-10,14-16H,4,8,11-13H2,1-3H3,(H,23,27)/p+1