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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN3O3/c1-4-27-19(26)18-17(14-10-13(21)6-7-15(14)22-18)23-16(25)11-24-9-5-8-20(2,3)12-24/h6-7,10,22H,4-5,8-9,11-12H2,1-3H3,(H,23,25)/p+1