1-[2-bromanyl-5-(trifluoromethyl)phenyl]-2-(3-ethylphenyl)-1-methyl-guanidine hydrochloride

Systemtic Name: 1-[2-bromanyl-5-(trifluoromethyl)phenyl]-2-(3-ethylphenyl)-1-methyl-guanidine hydrochloride Openeye Name: 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(3-ethylphenyl)-1-methyl-guanidine hydrochloride CAS Name: 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(3-ethylphenyl)-1-methylguanidine hydrochloride IUPAC Name: 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(3-ethylphenyl)-1-methylguanidine hydrochloride Traditional Name: 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(3-ethylphenyl)-1-methyl-guanidine hydrochloride Formula: C17H18BrClF3N3 MolecularWeight: 436.69713

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N=C(N)N(C)C2=C(C=CC(=C2)C(F)(F)F)Br.Cl

Isomeric SMILES

CCC1=CC(=CC=C1)N=C(N)N(C)C2=C(C=CC(=C2)C(F)(F)F)Br.Cl

InChI

InChI=1S/C17H17BrF3N3.ClH/c1-3-11-5-4-6-13(9-11)23-16(22)24(2)15-10-12(17(19,20)21)7-8-14(15)18;/h4-10H,3H2,1-2H3,(H2,22,23);1H