ethyl 4-[[7-(pyridin-4-ylcarbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[7-(pyridin-4-ylcarbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[7-(pyridine-4-carbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[7-[[oxo(pyridin-4-yl)methyl]amino]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[7-(pyridine-4-carbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[(7-isonicotinamido-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H23N5O3/c1-2-30-22(29)20-18(12-24-26-20)14-27-10-7-15-3-4-19(11-17(15)13-27)25-21(28)16-5-8-23-9-6-16/h3-6,8-9,11-12H,2,7,10,13-14H2,1H3,(H,24,26)(H,25,28)/p+1