methyl 5-fluoranyl-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 5-fluoranyl-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-fluoro-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[1-oxo-3-(1-pyrrolidin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-fluoro-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C17H21FN3O3+ MolecularWeight: 334.365343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3O3/c1-24-17(23)16-15(12-10-11(18)4-5-13(12)19-16)20-14(22)6-9-21-7-2-3-8-21/h4-5,10,19H,2-3,6-9H2,1H3,(H,20,22)/p+1