2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanol chloride

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanol chloride Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)ethanol chloride CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]ethanol chloride IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)ethanol chloride Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)ethanol chloride Formula: C16H18ClN3O MolecularWeight: 303.78662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCO)N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCO)N.[Cl-]

InChI

InChI=1S/C16H17N3O.ClH/c17-16-18(10-11-20)14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13;/h1-9,17,20H,10-12H2;1H