(3-azaniumylidene-3-azanyl-propyl)-methyl-[[4-(trifluoromethyloxy)phenyl]methyl]azanium

Systemtic Name: (3-azaniumylidene-3-azanyl-propyl)-methyl-[[4-(trifluoromethyloxy)phenyl]methyl]azanium Openeye Name: (3-amino-3-azaniumylidene-propyl)-methyl-[[4-(trifluoromethoxy)phenyl]methyl]ammonium CAS Name: (3-amino-3-iminiopropyl)-methyl-[[4-(trifluoromethoxy)phenyl]methyl]ammonium IUPAC Name: (3-amino-3-azaniumylidenepropyl)-methyl-[[4-(trifluoromethoxy)phenyl]methyl]azanium Traditional Name: (3-amino-3-iminio-propyl)-methyl-[4-(trifluoromethoxy)benzyl]ammonium Formula: C12H18F3N3O+2 MolecularWeight: 277.28603

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=[NH2+])N)CC1=CC=C(C=C1)OC(F)(F)F

Isomeric SMILES

C[NH+](CCC(=[NH2+])N)CC1=CC=C(C=C1)OC(F)(F)F

InChI

InChI=1S/C12H16F3N3O/c1-18(7-6-11(16)17)8-9-2-4-10(5-3-9)19-12(13,14)15/h2-5H,6-8H2,1H3,(H3,16,17)/p+2