(2S)-2-(2-dimethylaminoethylazaniumyl)-2-(6-fluoranyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(2-dimethylaminoethylazaniumyl)-2-(6-fluoranyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(2-dimethylaminoethylammonio)-2-(6-fluoro-1H-indol-3-yl)acetate CAS Name: (2S)-2-(2-dimethylaminoethylammonio)-2-(6-fluoro-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(2-dimethylaminoethylazaniumyl)-2-(6-fluoro-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(2-dimethylaminoethylammonio)-2-(6-fluoro-1H-indol-3-yl)acetate Formula: C14H18FN3O2 MolecularWeight: 279.310023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH2+]C(C1=CNC2=C1C=CC(=C2)F)C(=O)[O-]

Isomeric SMILES

CN(C)CC[NH2+][C@@H](C1=CNC2=C1C=CC(=C2)F)C(=O)[O-]

InChI

InChI=1S/C14H18FN3O2/c1-18(2)6-5-16-13(14(19)20)11-8-17-12-7-9(15)3-4-10(11)12/h3-4,7-8,13,16-17H,5-6H2,1-2H3,(H,19,20)/t13-/m0/s1