2-phenyl-7-piperazin-4-ium-1-ylcarbonyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 2-phenyl-7-piperazin-4-ium-1-ylcarbonyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 5-isopropyl-2-phenyl-7-(piperazin-4-ium-1-carbonyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[oxo(1-piperazin-4-iumyl)methyl]-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 2-phenyl-7-(piperazin-4-ium-1-carbonyl)-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 5-isopropyl-2-phenyl-7-(piperazin-4-ium-1-carbonyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C20H25N5O2+2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CC[NH2+]CC4

Isomeric SMILES

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CC[NH2+]CC4

InChI

InChI=1S/C20H23N5O2/c1-14(2)24-12-16(19(26)23-10-8-21-9-11-23)18-17(13-24)20(27)25(22-18)15-6-4-3-5-7-15/h3-7,12-14,21H,8-11H2,1-2H3/p+2