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

Systemtic Name: 1-[3-(4-bromanylphenoxy)propyl]-3-(phenylmethyl)benzimidazol-3-ium-2-amine Openeye Name: 1-benzyl-3-[3-(4-bromophenoxy)propyl]benzimidazol-1-ium-2-amine CAS Name: 1-[3-(4-bromophenoxy)propyl]-3-(phenylmethyl)-2-benzimidazol-3-iumamine IUPAC Name: 1-benzyl-3-[3-(4-bromophenoxy)propyl]benzimidazol-1-ium-2-amine Traditional Name: [1-benzyl-3-[3-(4-bromophenoxy)propyl]benzimidazol-1-ium-2-yl]amine Formula: C23H23BrN3O+ MolecularWeight: 437.35222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCOC4=CC=C(C=C4)Br)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCOC4=CC=C(C=C4)Br)N

InChI

InChI=1S/C23H22BrN3O/c24-19-11-13-20(14-12-19)28-16-6-15-26-21-9-4-5-10-22(21)27(23(26)25)17-18-7-2-1-3-8-18/h1-5,7-14,25H,6,15-17H2/p+1