(2S)-2-[1-(4-fluorophenyl)pyrrol-1-ium-1-yl]-N,3,3-trimethyl-butanamide

Systemtic Name: (2S)-2-[1-(4-fluorophenyl)pyrrol-1-ium-1-yl]-N,3,3-trimethyl-butanamide Openeye Name: (2S)-2-[1-(4-fluorophenyl)pyrrol-1-ium-1-yl]-N,3,3-trimethyl-butanamide CAS Name: (2S)-2-[1-(4-fluorophenyl)-1-pyrrol-1-iumyl]-N,3,3-trimethylbutanamide IUPAC Name: (2S)-2-[1-(4-fluorophenyl)pyrrol-1-ium-1-yl]-N,3,3-trimethylbutanamide Traditional Name: (2S)-2-[1-(4-fluorophenyl)pyrrol-1-ium-1-yl]-N,3,3-trimethyl-butyramide Formula: C17H22FN2O+ MolecularWeight: 289.367783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC)[N+]1(C=CC=C1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)NC)[N+]1(C=CC=C1)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H21FN2O/c1-17(2,3)15(16(21)19-4)20(11-5-6-12-20)14-9-7-13(18)8-10-14/h5-12,15H,1-4H3/p+1/t15-/m1/s1