2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(4-bromophenyl)ethanone

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(4-bromophenyl)ethanone Openeye Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(4-bromophenyl)ethanone CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-1-(4-bromophenyl)ethanone IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)-1-(4-bromophenyl)ethanone Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(4-bromophenyl)ethanone Formula: C18H17BrN3O+ MolecularWeight: 371.25108

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O/c1-2-11-21-15-5-3-4-6-16(15)22(18(21)20)12-17(23)13-7-9-14(19)10-8-13/h2-10,20H,1,11-12H2/p+1