4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)aniline

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)aniline Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)aniline CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)aniline IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)aniline Traditional Name: [4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(trifluoromethyl)phenyl]amine Formula: C13H19F3N3+ MolecularWeight: 274.30527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18F3N3/c1-18-5-2-6-19(8-7-18)10-3-4-12(17)11(9-10)13(14,15)16/h3-4,9H,2,5-8,17H2,1H3/p+1