ethyl 5-fluoranyl-3-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H27FN3O3+ MolecularWeight: 376.445083

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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+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)[C@H](C)[NH+]3CCC(CC3)C

InChI

InChI=1S/C20H26FN3O3/c1-4-27-20(26)18-17(15-11-14(21)5-6-16(15)22-18)23-19(25)13(3)24-9-7-12(2)8-10-24/h5-6,11-13,22H,4,7-10H2,1-3H3,(H,23,25)/p+1/t13-/m0/s1