methyl 4-methoxy-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-methoxy-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-methoxy-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-methoxy-3-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-methoxy-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N3O4/c1-28-17-9-5-8-16-19(17)20(21(23-16)22(27)29-2)24-18(26)13-25-11-10-14-6-3-4-7-15(14)12-25/h3-9,23H,10-13H2,1-2H3,(H,24,26)/p+1