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

Systemtic Name: 1-[2-(4-bromanylphenoxy)ethyl]-3-propyl-benzimidazol-3-ium-2-amine bromide Openeye Name: 1-[2-(4-bromophenoxy)ethyl]-3-propyl-benzimidazol-3-ium-2-amine bromide CAS Name: 1-[2-(4-bromophenoxy)ethyl]-3-propyl-2-benzimidazol-3-iumamine bromide IUPAC Name: 1-[2-(4-bromophenoxy)ethyl]-3-propylbenzimidazol-3-ium-2-amine bromide Traditional Name: [1-[2-(4-bromophenoxy)ethyl]-3-propyl-benzimidazol-3-ium-2-yl]amine bromide Formula: C18H21Br2N3O MolecularWeight: 455.18684

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O.BrH/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;1H