5-fluoranyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-indole-2-carboxamide

Systemtic Name: 5-fluoranyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-indole-2-carboxamide Openeye Name: 5-fluoro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-indole-2-carboxamide CAS Name: 5-fluoro-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1H-indole-2-carboxamide IUPAC Name: 5-fluoro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-indole-2-carboxamide Traditional Name: 5-fluoro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-indole-2-carboxamide Formula: C23H27FN3O+ MolecularWeight: 380.478383

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)F

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)F

InChI

InChI=1S/C23H26FN3O/c1-26(23(28)22-15-18-14-19(24)9-10-21(18)25-22)20-8-5-12-27(16-20)13-11-17-6-3-2-4-7-17/h2-4,6-7,9-10,14-15,20,25H,5,8,11-13,16H2,1H3/p+1/t20-/m0/s1