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

Systemtic Name: 7-(4-butanoylpiperazin-1-yl)carbonyl-5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-(4-butanoylpiperazine-1-carbonyl)-2-phenyl-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-(1-oxobutyl)-1-piperazinyl]methyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-(4-butanoylpiperazine-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-(4-butyrylpiperazine-1-carbonyl)-2-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C26H32N5O4+ MolecularWeight: 478.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)CC4CCCO4)C(=O)N(N3)C5=CC=CC=C5

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)C[C@H]4CCCO4)C(=O)N(N3)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5O4/c1-2-7-23(32)29-11-13-30(14-12-29)25(33)21-17-28(16-20-10-6-15-35-20)18-22-24(21)27-31(26(22)34)19-8-4-3-5-9-19/h3-5,8-9,17-18,20H,2,6-7,10-16H2,1H3/p+1/t20-/m1/s1