ethyl 5-methyl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate

Systemtic Name: ethyl 5-methyl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Openeye Name: ethyl 5-methyl-1-(4-pyridylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate CAS Name: 5-methyl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Traditional Name: 5-methyl-1-(4-pyridylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester Formula: C16H21N4O2+ MolecularWeight: 301.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)C)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)C)CC3=CC=NC=C3

InChI

InChI=1S/C16H20N4O2/c1-3-22-16(21)15-13-11-19(2)9-6-14(13)20(18-15)10-12-4-7-17-8-5-12/h4-5,7-8H,3,6,9-11H2,1-2H3/p+1