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

Systemtic Name: 1-[2-(4-bromanylphenoxy)ethyl]-3-propyl-benzimidazol-3-ium-2-amine Openeye Name: 1-[2-(4-bromophenoxy)ethyl]-3-propyl-benzimidazol-3-ium-2-amine CAS Name: 1-[2-(4-bromophenoxy)ethyl]-3-propyl-2-benzimidazol-3-iumamine IUPAC Name: 1-[2-(4-bromophenoxy)ethyl]-3-propylbenzimidazol-3-ium-2-amine Traditional Name: [1-[2-(4-bromophenoxy)ethyl]-3-propyl-benzimidazol-3-ium-2-yl]amine Formula: C18H21BrN3O+ MolecularWeight: 375.28284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O/c1-2-11-21-16-5-3-4-6-17(16)22(18(21)20)12-13-23-15-9-7-14(19)8-10-15/h3-10,20H,2,11-13H2,1H3/p+1