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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H27N3O4/c1-3-31-24(29)23-22(19-14-18(30-2)8-9-20(19)25-23)26-21(28)11-13-27-12-10-16-6-4-5-7-17(16)15-27/h4-9,14,25H,3,10-13,15H2,1-2H3,(H,26,28)/p+1