methyl 5,6-dimethoxy-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5,6-dimethoxy-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5,6-dimethoxy-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-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 5,6-dimethoxy-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5,6-dimethoxy-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H26N3O5+ MolecularWeight: 424.46964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C23H25N3O5/c1-29-18-10-16-17(11-19(18)30-2)24-22(23(28)31-3)21(16)25-20(27)13-26-9-8-14-6-4-5-7-15(14)12-26/h4-7,10-11,24H,8-9,12-13H2,1-3H3,(H,25,27)/p+1