diethyl-[2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]ethyl]azanium dichloride

Systemtic Name: diethyl-[2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]ethyl]azanium dichloride Openeye Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)ethyl-diethyl-ammonium dichloride CAS Name: diethyl-[2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]ethyl]ammonium dichloride IUPAC Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)ethyl-diethylazanium dichloride Traditional Name: 2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)ethyl-diethyl-ammonium dichloride Formula: C20H27Cl2N3 MolecularWeight: 380.35448

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)CC3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)CC3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C20H25N3.2ClH/c1-3-22(4-2)14-15-23-19-13-9-8-12-18(19)21-20(23)16-17-10-6-5-7-11-17;;/h5-13H,3-4,14-16H2,1-2H3;2*1H