ethyl 5-fluoranyl-3-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[(2S)-1-oxo-2-(1-piperidin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C19H25FN3O3+ MolecularWeight: 362.418503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)[C@H](C)[NH+]3CCCCC3

InChI

InChI=1S/C19H24FN3O3/c1-3-26-19(25)17-16(14-11-13(20)7-8-15(14)21-17)22-18(24)12(2)23-9-5-4-6-10-23/h7-8,11-12,21H,3-6,9-10H2,1-2H3,(H,22,24)/p+1/t12-/m0/s1