5-chloranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: 5-chloranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: 5-chloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: 5-chloro-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: 5-chloro-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-[(6-morpholinopyridin-1-ium-3-yl)methyl]amine Formula: C17H17ClF3N4O3+ MolecularWeight: 417.79009

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=C(C=C(C(=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=C(C=C(C(=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClF3N4O3/c18-13-8-14(15(25(26)27)7-12(13)17(19,20)21)22-9-11-1-2-16(23-10-11)24-3-5-28-6-4-24/h1-2,7-8,10,22H,3-6,9H2/p+1