methyl 3-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]-5-fluoranyl-1H-indole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN3O3/c1-12-8-13(2)11-24(10-12)7-6-17(25)23-18-15-9-14(21)4-5-16(15)22-19(18)20(26)27-3/h4-5,9,12-13,22H,6-8,10-11H2,1-3H3,(H,23,25)/p+1/t12-,13-/m0/s1