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

Systemtic Name: 1-[3-(4-bromanylphenoxy)propyl]-3-methyl-benzimidazol-3-ium-2-amine Openeye Name: 1-[3-(4-bromophenoxy)propyl]-3-methyl-benzimidazol-3-ium-2-amine CAS Name: 1-[3-(4-bromophenoxy)propyl]-3-methyl-2-benzimidazol-3-iumamine IUPAC Name: 1-[3-(4-bromophenoxy)propyl]-3-methylbenzimidazol-3-ium-2-amine Traditional Name: [1-[3-(4-bromophenoxy)propyl]-3-methyl-benzimidazol-3-ium-2-yl]amine Formula: C17H19BrN3O+ MolecularWeight: 361.25626

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CCCOC3=CC=C(C=C3)Br)N

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CCCOC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C17H18BrN3O/c1-20-15-5-2-3-6-16(15)21(17(20)19)11-4-12-22-14-9-7-13(18)8-10-14/h2-3,5-10,19H,4,11-12H2,1H3/p+1