(3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[[2,6-bis(fluoranyl)phenyl]methyl]azanium

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[[2,6-bis(fluoranyl)phenyl]methyl]azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(2,6-difluorophenyl)methyl]ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-[(2,6-difluorophenyl)methyl]ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(2,6-difluorophenyl)methyl]azanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-(2,6-difluorobenzyl)ammonium Formula: C21H24F2N3O2+ MolecularWeight: 388.430966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=C(C=CC=C2F)F)C(=O)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=C(C=CC=C2F)F)C(=O)N3CCCC3

InChI

InChI=1S/C21H23F2N3O2/c1-14(27)25-17-10-15(9-16(11-17)21(28)26-7-2-3-8-26)12-24-13-18-19(22)5-4-6-20(18)23/h4-6,9-11,24H,2-3,7-8,12-13H2,1H3,(H,25,27)/p+1