2-[2-[(4-bromophenyl)-(phenylmethyl)amino]ethyl]guanidine trihydrochloride

Systemtic Name: 2-[2-[(4-bromophenyl)-(phenylmethyl)amino]ethyl]guanidine trihydrochloride Openeye Name: 2-[2-(N-benzyl-4-bromo-anilino)ethyl]guanidine trihydrochloride CAS Name: 2-[2-(4-bromo-N-(phenylmethyl)anilino)ethyl]guanidine trihydrochloride IUPAC Name: 2-[2-(N-benzyl-4-bromoanilino)ethyl]guanidine trihydrochloride Traditional Name: 2-[2-(N-benzyl-4-bromo-anilino)ethyl]guanidine trihydrochloride Formula: C16H22BrCl3N4 MolecularWeight: 456.63568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCN=C(N)N)C2=CC=C(C=C2)Br.Cl.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCN=C(N)N)C2=CC=C(C=C2)Br.Cl.Cl.Cl

InChI

InChI=1S/C16H19BrN4.3ClH/c17-14-6-8-15(9-7-14)21(11-10-20-16(18)19)12-13-4-2-1-3-5-13;;;/h1-9H,10-12H2,(H4,18,19,20);3*1H