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

Systemtic Name: (4-bromophenyl) 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: (4-bromophenyl) 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)acetic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)acetic acid (4-bromophenyl) ester Formula: C18H17BrN3O2+ MolecularWeight: 387.25048

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O2/c1-2-11-21-15-5-3-4-6-16(15)22(18(21)20)12-17(23)24-14-9-7-13(19)8-10-14/h2-10,20H,1,11-12H2/p+1