1-[2-(4-bromanylphenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-amine

Systemtic Name: 1-[2-(4-bromanylphenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-amine Openeye Name: 1-[2-(4-bromophenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-amine CAS Name: 1-[2-(4-bromophenoxy)ethyl]-3-methyl-2-benzimidazol-3-iumamine IUPAC Name: 1-[2-(4-bromophenoxy)ethyl]-3-methylbenzimidazol-3-ium-2-amine Traditional Name: [1-[2-(4-bromophenoxy)ethyl]-3-methyl-benzimidazol-3-ium-2-yl]amine Formula: C16H17BrN3O+ MolecularWeight: 347.22968

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)Br)N

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C16H16BrN3O/c1-19-14-4-2-3-5-15(14)20(16(19)18)10-11-21-13-8-6-12(17)7-9-13/h2-9,18H,10-11H2,1H3/p+1