methyl 3-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-4-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-oxoethyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C24H28N3O6+ MolecularWeight: 454.49562

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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(=C(C=C4C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O6/c1-30-17-7-5-6-16-21(17)22(23(25-16)24(29)33-4)26-20(28)13-27-9-8-14-10-18(31-2)19(32-3)11-15(14)12-27/h5-7,10-11,25H,8-9,12-13H2,1-4H3,(H,26,28)/p+1