ethyl 5-bromanyl-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-3-(1-pyrrolidin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C18H23BrN3O3+ MolecularWeight: 409.29752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CC[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CC[NH+]3CCCC3

InChI

InChI=1S/C18H22BrN3O3/c1-2-25-18(24)17-16(13-11-12(19)5-6-14(13)20-17)21-15(23)7-10-22-8-3-4-9-22/h5-6,11,20H,2-4,7-10H2,1H3,(H,21,23)/p+1