(2R)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-3-ium-2-ylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-3-ium-2-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-3-ium-2-ylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-3-ium-2-ylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-3-ium-2-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-3-ium-2-ylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H23FN4O+2 MolecularWeight: 366.431923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=[NH+]C=CN2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=[NH+]C=CN2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H21FN4O/c22-17-4-1-3-16(13-17)15-6-8-18(9-7-15)25-21(27)19-5-2-12-26(19)14-20-23-10-11-24-20/h1,3-4,6-11,13,19H,2,5,12,14H2,(H,23,24)(H,25,27)/p+2/t19-/m1/s1