N1-methyl-N1-(1-methylpiperidin-1-ium-4-yl)-4-(trifluoromethyl)benzene-1,2-diamine

Systemtic Name: N1-methyl-N1-(1-methylpiperidin-1-ium-4-yl)-4-(trifluoromethyl)benzene-1,2-diamine Openeye Name: N1-methyl-N1-(1-methylpiperidin-1-ium-4-yl)-4-(trifluoromethyl)benzene-1,2-diamine CAS Name: N1-methyl-N1-(1-methyl-4-piperidin-1-iumyl)-4-(trifluoromethyl)benzene-1,2-diamine IUPAC Name: 1-N-methyl-1-N-(1-methylpiperidin-1-ium-4-yl)-4-(trifluoromethyl)benzene-1,2-diamine Traditional Name: [2-amino-4-(trifluoromethyl)phenyl]-methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C14H21F3N3+ MolecularWeight: 288.33185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20F3N3/c1-19-7-5-11(6-8-19)20(2)13-4-3-10(9-12(13)18)14(15,16)17/h3-4,9,11H,5-8,18H2,1-2H3/p+1