N-(3-morpholin-4-ium-4-ylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C14H18F3N4O5+ MolecularWeight: 379.31173

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H17F3N4O5/c15-14(16,17)10-8-11(20(22)23)13(12(9-10)21(24)25)18-2-1-3-19-4-6-26-7-5-19/h8-9,18H,1-7H2/p+1