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

Systemtic Name: 1-[3-(4-bromanylphenoxy)propyl]-3-prop-2-enyl-benzimidazol-3-ium-2-amine Openeye Name: 1-allyl-3-[3-(4-bromophenoxy)propyl]benzimidazol-1-ium-2-amine CAS Name: 1-[3-(4-bromophenoxy)propyl]-3-prop-2-enyl-2-benzimidazol-3-iumamine IUPAC Name: 1-[3-(4-bromophenoxy)propyl]-3-prop-2-enylbenzimidazol-3-ium-2-amine Traditional Name: [1-allyl-3-[3-(4-bromophenoxy)propyl]benzimidazol-1-ium-2-yl]amine Formula: C19H21BrN3O+ MolecularWeight: 387.29354

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(N(C2=CC=CC=C21)CCCOC3=CC=C(C=C3)Br)N

Isomeric SMILES

C=CC[N+]1=C(N(C2=CC=CC=C21)CCCOC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C19H20BrN3O/c1-2-12-22-17-6-3-4-7-18(17)23(19(22)21)13-5-14-24-16-10-8-15(20)9-11-16/h2-4,6-11,21H,1,5,12-14H2/p+1