ethyl 4-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate

Systemtic Name: ethyl 4-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: ethyl 4-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate CAS Name: 4-[2-(1-cyclohexenyl)ethylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Traditional Name: 4-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid ethyl ester Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CN[N+](=C2N=C1)C)NCCC3=CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=CN[N+](=C2N=C1)C)NCCC3=CCCCC3

InChI

InChI=1S/C18H24N4O2/c1-3-24-18(23)15-11-20-17-14(12-21-22(17)2)16(15)19-10-9-13-7-5-4-6-8-13/h7,11-12H,3-6,8-10H2,1-2H3,(H,19,20,21,23)/p+1