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

Systemtic Name: 1-[3-(4-bromanylphenoxy)propyl]-3-phenethyl-benzimidazol-1-ium-2-amine Openeye Name: 1-[3-(4-bromophenoxy)propyl]-3-phenethyl-benzimidazol-1-ium-2-amine CAS Name: 1-[3-(4-bromophenoxy)propyl]-3-phenethyl-2-benzimidazol-1-iumamine IUPAC Name: 1-[3-(4-bromophenoxy)propyl]-3-phenethylbenzimidazol-1-ium-2-amine Traditional Name: [1-[3-(4-bromophenoxy)propyl]-3-phenethyl-benzimidazol-1-ium-2-yl]amine Formula: C24H25BrN3O+ MolecularWeight: 451.3788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3[N+](=C2N)CCCOC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3[N+](=C2N)CCCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H24BrN3O/c25-20-11-13-21(14-12-20)29-18-6-16-27-22-9-4-5-10-23(22)28(24(27)26)17-15-19-7-2-1-3-8-19/h1-5,7-14,26H,6,15-18H2/p+1