ethyl 1-(3-methylbutyl)-5-(2-piperidin-1-ium-1-ylethanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 1-(3-methylbutyl)-5-(2-piperidin-1-ium-1-ylethanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: ethyl 1-isopentyl-5-(2-piperidin-1-ium-1-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 1-(3-methylbutyl)-5-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylbutyl)-5-(2-piperidin-1-ium-1-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 1-isoamyl-5-(2-piperidin-1-ium-1-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H35N4O3+ MolecularWeight: 391.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C[NH+]3CCCCC3)CCC(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C[NH+]3CCCCC3)CCC(C)C

InChI

InChI=1S/C21H34N4O3/c1-4-28-21(27)20-17-14-24(19(26)15-23-10-6-5-7-11-23)12-9-18(17)25(22-20)13-8-16(2)3/h16H,4-15H2,1-3H3/p+1