2,6-dinitro-N-(2-pyrrolidin-1-ium-1-ylethyl)-4-(trifluoromethyl)aniline

Systemtic Name: 2,6-dinitro-N-(2-pyrrolidin-1-ium-1-ylethyl)-4-(trifluoromethyl)aniline Openeye Name: 2,6-dinitro-N-(2-pyrrolidin-1-ium-1-ylethyl)-4-(trifluoromethyl)aniline CAS Name: 2,6-dinitro-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-(trifluoromethyl)aniline IUPAC Name: 2,6-dinitro-N-(2-pyrrolidin-1-ium-1-ylethyl)-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C13H16F3N4O4+ MolecularWeight: 349.28575

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15F3N4O4/c14-13(15,16)9-7-10(19(21)22)12(11(8-9)20(23)24)17-3-6-18-4-1-2-5-18/h7-8,17H,1-6H2/p+1