1-[4-(4-chloranyl-3-methoxy-phenyl)piperazin-1-yl]-2-(7-oxidanidylpyrazolo[3,4-b]pyridin-7-ium-1-yl)ethanone

Systemtic Name: 1-[4-(4-chloranyl-3-methoxy-phenyl)piperazin-1-yl]-2-(7-oxidanidylpyrazolo[3,4-b]pyridin-7-ium-1-yl)ethanone Openeye Name: 1-[4-(4-chloro-3-methoxy-phenyl)piperazin-1-yl]-2-(7-oxidopyrazolo[3,4-b]pyridin-7-ium-1-yl)ethanone CAS Name: 1-[4-(4-chloro-3-methoxyphenyl)-1-piperazinyl]-2-(7-oxido-1-pyrazolo[3,4-b]pyridin-7-iumyl)ethanone IUPAC Name: 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(7-oxidopyrazolo[3,4-b]pyridin-7-ium-1-yl)ethanone Traditional Name: 1-[4-(4-chloro-3-methoxy-phenyl)piperazino]-2-(7-oxidopyrazolo[3,4-b]pyridin-7-ium-1-yl)ethanone Formula: C19H20ClN5O3 MolecularWeight: 401.8468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CN3C4=C(C=CC=[N+]4[O-])C=N3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CN3C4=C(C=CC=[N+]4[O-])C=N3)Cl

InChI

InChI=1S/C19H20ClN5O3/c1-28-17-11-15(4-5-16(17)20)22-7-9-23(10-8-22)18(26)13-24-19-14(12-21-24)3-2-6-25(19)27/h2-6,11-12H,7-10,13H2,1H3