ethyl 5-(1H-imidazol-3-ium-2-ylmethyl)-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 5-(1H-imidazol-3-ium-2-ylmethyl)-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: ethyl 5-(1H-imidazol-3-ium-2-ylmethyl)-1-[3-(3-pyridyl)propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 5-(1H-imidazol-3-ium-2-ylmethyl)-1-[3-(3-pyridinyl)propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1H-imidazol-3-ium-2-ylmethyl)-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 5-(1H-imidazol-3-ium-2-ylmethyl)-1-[3-(3-pyridyl)propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CN(CC2)CC3=[NH+]C=CN3)CCCC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CN(CC2)CC3=[NH+]C=CN3)CCCC4=CN=CC=C4

InChI

InChI=1S/C21H26N6O2/c1-2-29-21(28)20-17-14-26(15-19-23-9-10-24-19)12-7-18(17)27(25-20)11-4-6-16-5-3-8-22-13-16/h3,5,8-10,13H,2,4,6-7,11-12,14-15H2,1H3,(H,23,24)/p+1