7-(4-butylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 7-(4-butylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-(4-butylpiperazin-4-ium-1-carbonyl)-5-isopropyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[(4-butyl-1-piperazin-4-iumyl)-oxomethyl]-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-(4-butylpiperazin-4-ium-1-carbonyl)-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-(4-butylpiperazin-4-ium-1-carbonyl)-5-isopropyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C24H33N5O2+2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)C(C)C)C(=O)N(N3)C4=CC=CC=C4

Isomeric SMILES

CCCC[NH+]1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)C(C)C)C(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N5O2/c1-4-5-11-26-12-14-27(15-13-26)23(30)20-16-28(18(2)3)17-21-22(20)25-29(24(21)31)19-9-7-6-8-10-19/h6-10,16-18H,4-5,11-15H2,1-3H3/p+2