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

Systemtic Name: 5-(3-methoxypropyl)-2-phenyl-7-piperazin-4-ium-1-ylcarbonyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 5-(3-methoxypropyl)-2-phenyl-7-(piperazin-4-ium-1-carbonyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 5-(3-methoxypropyl)-7-[oxo(1-piperazin-4-iumyl)methyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 5-(3-methoxypropyl)-2-phenyl-7-(piperazin-4-ium-1-carbonyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 5-(3-methoxypropyl)-2-phenyl-7-(piperazin-4-ium-1-carbonyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C21H27N5O3+2 MolecularWeight: 397.47078

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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)N4CC[NH2+]CC4

Isomeric SMILES

COCCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CC[NH2+]CC4

InChI

InChI=1S/C21H25N5O3/c1-29-13-5-10-24-14-17(20(27)25-11-8-22-9-12-25)19-18(15-24)21(28)26(23-19)16-6-3-2-4-7-16/h2-4,6-7,14-15,22H,5,8-13H2,1H3/p+2