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

Systemtic Name: ethyl 5-fluoranyl-3-[[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-[[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[(2S)-1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C23H25FN3O3+ MolecularWeight: 410.461303

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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+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)[C@H](C)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H24FN3O3/c1-3-30-23(29)21-20(18-12-17(24)8-9-19(18)25-21)26-22(28)14(2)27-11-10-15-6-4-5-7-16(15)13-27/h4-9,12,14,25H,3,10-11,13H2,1-2H3,(H,26,28)/p+1/t14-/m0/s1