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

Systemtic Name: 5-(3-methoxypropyl)-2-phenyl-7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-(4-benzylpiperazine-1-carbonyl)-5-(3-methoxypropyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 5-(3-methoxypropyl)-7-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-(4-benzylpiperazine-1-carbonyl)-5-(3-methoxypropyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-(4-benzylpiperazine-1-carbonyl)-5-(3-methoxypropyl)-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:

COCCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COCCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

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