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

Systemtic Name: 5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-(4-propylpiperazin-4-ium-1-yl)carbonyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 2-phenyl-7-(4-propylpiperazin-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-(4-propyl-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-(4-propylpiperazin-4-ium-1-carbonyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 2-phenyl-7-(4-propylpiperazin-4-ium-1-carbonyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C25H33N5O3+2 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)CC4CCCO4)C(=O)N(N3)C5=CC=CC=C5

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)C[C@H]4CCCO4)C(=O)N(N3)C5=CC=CC=C5

InChI

InChI=1S/C25H31N5O3/c1-2-10-27-11-13-29(14-12-27)24(31)21-17-28(16-20-9-6-15-33-20)18-22-23(21)26-30(25(22)32)19-7-4-3-5-8-19/h3-5,7-8,17-18,20H,2,6,9-16H2,1H3/p+2/t20-/m1/s1