N,N-diethyl-1-(3-phenylphenyl)-5-(trifluoromethyl)benzimidazol-1-ium-1-amine hydrochloride

Systemtic Name: N,N-diethyl-1-(3-phenylphenyl)-5-(trifluoromethyl)benzimidazol-1-ium-1-amine hydrochloride Openeye Name: N,N-diethyl-1-(3-phenylphenyl)-5-(trifluoromethyl)benzimidazol-1-ium-1-amine hydrochloride CAS Name: N,N-diethyl-1-(3-phenylphenyl)-5-(trifluoromethyl)-1-benzimidazol-1-iumamine hydrochloride IUPAC Name: N,N-diethyl-1-(3-phenylphenyl)-5-(trifluoromethyl)benzimidazol-1-ium-1-amine hydrochloride Traditional Name: diethyl-[1-(3-phenylphenyl)-5-(trifluoromethyl)benzimidazol-1-ium-1-yl]amine hydrochloride Formula: C24H24ClF3N3+ MolecularWeight: 446.91567

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)[N+]1(C=NC2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC(=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

CCN(CC)[N+]1(C=NC2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC(=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C24H23F3N3.ClH/c1-3-29(4-2)30(17-28-22-16-20(24(25,26)27)13-14-23(22)30)21-12-8-11-19(15-21)18-9-6-5-7-10-18;/h5-17H,3-4H2,1-2H3;1H/q+1;