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

Systemtic Name: ethyl 5-bromanyl-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-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-bromo-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C23H25BrN3O3+ MolecularWeight: 471.3669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3O3/c1-2-30-23(29)22-21(18-13-17(24)7-8-19(18)25-22)26-20(28)10-12-27-11-9-15-5-3-4-6-16(15)14-27/h3-8,13,25H,2,9-12,14H2,1H3,(H,26,28)/p+1