methyl 4-[[7-(pyridin-4-ylcarbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzoate

Systemtic Name: methyl 4-[[7-(pyridin-4-ylcarbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzoate Openeye Name: methyl 4-[[7-(pyridine-4-carbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzoate CAS Name: 4-[[7-[[oxo(pyridin-4-yl)methyl]amino]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-(pyridine-4-carbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzoate Traditional Name: 4-[(7-isonicotinamido-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]benzoic acid methyl ester Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3/c1-30-24(29)20-4-2-17(3-5-20)15-27-13-10-18-6-7-22(14-21(18)16-27)26-23(28)19-8-11-25-12-9-19/h2-9,11-12,14H,10,13,15-16H2,1H3,(H,26,28)/p+1