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

Systemtic Name: ethyl 5-fluoranyl-3-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]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[NH+]3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C[NH+]3CCC[C@@H](C3)C

InChI

InChI=1S/C19H24FN3O3/c1-3-26-19(25)18-17(14-9-13(20)6-7-15(14)21-18)22-16(24)11-23-8-4-5-12(2)10-23/h6-7,9,12,21H,3-5,8,10-11H2,1-2H3,(H,22,24)/p+1/t12-/m0/s1