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

Systemtic Name: 5-(2-methoxyethyl)-7-(4-phenethylpiperazin-1-yl)carbonyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 5-(2-methoxyethyl)-7-(4-phenethylpiperazine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 5-(2-methoxyethyl)-7-[oxo-(4-phenethyl-1-piperazinyl)methyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 5-(2-methoxyethyl)-7-(4-phenethylpiperazine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 5-(2-methoxyethyl)-7-(4-phenethylpiperazine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C28H32N5O3+ MolecularWeight: 486.58538

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Descriptors Computed from Structure

Canonical SMILES:

COCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CCC5=CC=CC=C5

Isomeric SMILES

COCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O3/c1-36-19-18-31-20-24(26-25(21-31)28(35)33(29-26)23-10-6-3-7-11-23)27(34)32-16-14-30(15-17-32)13-12-22-8-4-2-5-9-22/h2-11,20-21H,12-19H2,1H3/p+1