(2S)-4-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]-2-methyl-morpholin-4-ium

Systemtic Name: (2S)-4-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]-2-methyl-morpholin-4-ium Openeye Name: (2S)-4-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]-2-methyl-morpholin-4-ium CAS Name: (2S)-4-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]methyl]-2-methylmorpholin-4-ium IUPAC Name: (2S)-4-[[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]methyl]-2-methylmorpholin-4-ium Traditional Name: (2S)-4-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]-2-methyl-morpholin-4-ium Formula: C19H20FN4O3+ MolecularWeight: 371.385503

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCO1)CC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[NH+](CCO1)CC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19FN4O3/c1-13-11-22(8-9-27-13)12-19-21-17-10-16(24(25)26)6-7-18(17)23(19)15-4-2-14(20)3-5-15/h2-7,10,13H,8-9,11-12H2,1H3/p+1/t13-/m0/s1