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

Systemtic Name: ethyl 4-[[5-(pyridin-4-ylcarbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[5-(pyridine-4-carbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[5-[[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-[[5-(pyridine-4-carbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[(5-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=CC=C3NC(=O)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCC3=C(C2)C=CC=C3NC(=O)C4=CC=NC=C4

InChI

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