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

Systemtic Name: ethyl 3-[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[2-[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(3S)-3-carbethoxypiperidin-1-ium-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C21H27FN3O5+ MolecularWeight: 420.454583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C21H26FN3O5/c1-3-29-20(27)13-6-5-9-25(11-13)12-17(26)24-18-15-10-14(22)7-8-16(15)23-19(18)21(28)30-4-2/h7-8,10,13,23H,3-6,9,11-12H2,1-2H3,(H,24,26)/p+1/t13-/m0/s1