7-(4-butylpiperazin-4-ium-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-butylpiperazin-4-ium-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-butylpiperazin-4-ium-1-carbonyl)-2-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[(4-butyl-1-piperazin-4-iumyl)-oxomethyl]-5-[[(2R)-2-oxolanyl]methyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-(4-butylpiperazin-4-ium-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-(4-butylpiperazin-4-ium-1-carbonyl)-2-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C26H35N5O3+2 MolecularWeight: 465.5878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[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/C26H33N5O3/c1-2-3-11-28-12-14-30(15-13-28)25(32)22-18-29(17-21-10-7-16-34-21)19-23-24(22)27-31(26(23)33)20-8-5-4-6-9-20/h4-6,8-9,18-19,21H,2-3,7,10-17H2,1H3/p+2/t21-/m1/s1