4-fluoranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide Openeye Name: 4-fluoro-N-[(1S)-2-methyl-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]propyl]benzamide CAS Name: 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]butan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide Traditional Name: 4-fluoro-N-[(1S)-2-methyl-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]propyl]benzamide Formula: C24H31FN3O2+ MolecularWeight: 412.520243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1C[NH+]2CCCC2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CC=C1C[NH+]2CCCC2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H30FN3O2/c1-17(2)22(27-23(29)18-9-11-21(25)12-10-18)24(30)26-15-19-7-3-4-8-20(19)16-28-13-5-6-14-28/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3,(H,26,30)(H,27,29)/p+1/t22-/m0/s1