ethyl 1,3-dimethyl-4-(4-pyrrol-1-ylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate

Systemtic Name: ethyl 1,3-dimethyl-4-(4-pyrrol-1-ylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: ethyl 1,3-dimethyl-4-(4-pyrrol-1-yl-1-piperidyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate CAS Name: 1,3-dimethyl-4-[4-(1-pyrrolyl)-1-piperidinyl]-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-dimethyl-4-(4-pyrrol-1-ylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Traditional Name: 1,3-dimethyl-4-(4-pyrrol-1-ylpiperidino)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N[N+](=C2N=C1)C)C)N3CCC(CC3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N[N+](=C2N=C1)C)C)N3CCC(CC3)N4C=CC=C4

InChI

InChI=1S/C20H25N5O2/c1-4-27-20(26)16-13-21-19-17(14(2)22-23(19)3)18(16)25-11-7-15(8-12-25)24-9-5-6-10-24/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3/p+1