ethyl 5-bromanyl-3-(2-morpholin-4-ium-4-ylethanoylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(2-morpholin-4-ium-4-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(2-morpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(2-morpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[(2-morpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C17H21BrN3O4+ MolecularWeight: 411.27034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C17H20BrN3O4/c1-2-25-17(23)16-15(12-9-11(18)3-4-13(12)19-16)20-14(22)10-21-5-7-24-8-6-21/h3-4,9,19H,2,5-8,10H2,1H3,(H,20,22)/p+1