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

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol chloride Openeye Name: 2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol chloride CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-1-(4-bromophenyl)ethanol chloride IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol chloride Traditional Name: 2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol chloride Formula: C18H19BrClN3O MolecularWeight: 408.71996

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(N(C2=CC=CC=C21)CC(C3=CC=C(C=C3)Br)O)N.[Cl-]

Isomeric SMILES

C=CC[N+]1=C(N(C2=CC=CC=C21)CC(C3=CC=C(C=C3)Br)O)N.[Cl-]

InChI

InChI=1S/C18H18BrN3O.ClH/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;/h2-10,17,20,23H,1,11-12H2;1H