ethyl 5-methoxy-1-methyl-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-1-methyl-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]indole-2-carboxylate Openeye Name: ethyl 5-methoxy-1-methyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]indole-2-carboxylate CAS Name: 5-methoxy-1-methyl-3-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-1-methyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]indole-2-carboxylate Traditional Name: 5-methoxy-1-methyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]indole-2-carboxylic acid ethyl ester Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H27N3O4/c1-4-31-24(29)23-22(19-13-18(30-3)9-10-20(19)26(23)2)25-21(28)15-27-12-11-16-7-5-6-8-17(16)14-27/h5-10,13H,4,11-12,14-15H2,1-3H3,(H,25,28)/p+1