5-fluoranyl-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]-1H-indole-2-carboxamide

Systemtic Name: 5-fluoranyl-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-5-fluoro-1H-indole-2-carboxamide CAS Name: 5-fluoro-N-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-5-fluoro-1H-indole-2-carboxamide Traditional Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-5-fluoro-1H-indole-2-carboxamide Formula: C21H23FN3O2+ MolecularWeight: 368.424623

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNC(=O)C3=CC4=C(N3)C=CC(=C4)F

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC(=O)C3=CC4=C(N3)C=CC(=C4)F

InChI

InChI=1S/C21H22FN3O2/c22-17-6-7-19-16(10-17)11-20(24-19)21(26)23-12-18-14-25(8-9-27-18)13-15-4-2-1-3-5-15/h1-7,10-11,18,24H,8-9,12-14H2,(H,23,26)/p+1/t18-/m0/s1