5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-piperazin-4-ium-1-ylcarbonyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-piperazin-4-ium-1-ylcarbonyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 2-phenyl-7-(piperazin-4-ium-1-carbonyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 5-[[(2R)-2-oxolanyl]methyl]-7-[oxo(1-piperazin-4-iumyl)methyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-(piperazin-4-ium-1-carbonyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 2-phenyl-7-(piperazin-4-ium-1-carbonyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C22H27N5O3+2 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[N+]2=CC(=C3C(=C2)C(=O)N(N3)C4=CC=CC=C4)C(=O)N5CC[NH2+]CC5

Isomeric SMILES

C1C[C@@H](OC1)C[N+]2=CC(=C3C(=C2)C(=O)N(N3)C4=CC=CC=C4)C(=O)N5CC[NH2+]CC5

InChI

InChI=1S/C22H25N5O3/c28-21(26-10-8-23-9-11-26)18-14-25(13-17-7-4-12-30-17)15-19-20(18)24-27(22(19)29)16-5-2-1-3-6-16/h1-3,5-6,14-15,17,23H,4,7-13H2/p+2/t17-/m1/s1