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

Systemtic Name: 1-[2-(4-bromanylphenoxy)ethyl]-3-butyl-benzimidazol-3-ium-2-amine Openeye Name: 1-[2-(4-bromophenoxy)ethyl]-3-butyl-benzimidazol-3-ium-2-amine CAS Name: 1-[2-(4-bromophenoxy)ethyl]-3-butyl-2-benzimidazol-3-iumamine IUPAC Name: 1-[2-(4-bromophenoxy)ethyl]-3-butylbenzimidazol-3-ium-2-amine Traditional Name: [1-[2-(4-bromophenoxy)ethyl]-3-butyl-benzimidazol-3-ium-2-yl]amine Formula: C19H23BrN3O+ MolecularWeight: 389.30942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O/c1-2-3-12-22-17-6-4-5-7-18(17)23(19(22)21)13-14-24-16-10-8-15(20)9-11-16/h4-11,21H,2-3,12-14H2,1H3/p+1