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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: (6-morpholinopyridin-1-ium-3-yl)methyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C17H18F3N4O3+ MolecularWeight: 383.34503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O3/c18-17(19,20)13-2-3-14(15(9-13)24(25)26)21-10-12-1-4-16(22-11-12)23-5-7-27-8-6-23/h1-4,9,11,21H,5-8,10H2/p+1