N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-[(1-methylpiperidin-1-ium-4-ylidene)amino]amine Formula: C13H15F3N5O4+ MolecularWeight: 362.28451

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC1

Isomeric SMILES

C[NH+]1CCC(=NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC1

InChI

InChI=1S/C13H14F3N5O4/c1-19-4-2-9(3-5-19)17-18-12-10(20(22)23)6-8(13(14,15)16)7-11(12)21(24)25/h6-7,18H,2-5H2,1H3/p+1