4-[4-(4-carbamimidoylphenyl)-3-(trifluoromethyl)phenyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[4-(4-carbamimidoylphenyl)-3-(trifluoromethyl)phenyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[4-(4-carbamimidoylphenyl)-3-(trifluoromethyl)phenyl]benzamidine hydrochloride CAS Name: 4-[4-(4-carbamimidoylphenyl)-3-(trifluoromethyl)phenyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[4-(4-carbamimidoylphenyl)-3-(trifluoromethyl)phenyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[4-(4-amidinophenyl)-3-(trifluoromethyl)phenyl]benzamidine hydrochloride Formula: C21H18ClF3N4 MolecularWeight: 418.84263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(F)(F)F)C(=N)N.Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(F)(F)F)C(=N)N.Cl

InChI

InChI=1S/C21H17F3N4.ClH/c22-21(23,24)18-11-16(12-1-5-14(6-2-12)19(25)26)9-10-17(18)13-3-7-15(8-4-13)20(27)28;/h1-11H,(H3,25,26)(H3,27,28);1H