1-(2-methylprop-2-enyl)-3-(phenylmethyl)benzimidazol-1-ium chloride

Systemtic Name: 1-(2-methylprop-2-enyl)-3-(phenylmethyl)benzimidazol-1-ium chloride Openeye Name: 1-benzyl-3-(2-methylallyl)benzimidazol-3-ium chloride CAS Name: 1-(2-methylprop-2-enyl)-3-(phenylmethyl)benzimidazol-1-ium chloride IUPAC Name: 1-benzyl-3-(2-methylprop-2-enyl)benzimidazol-3-ium chloride Traditional Name: 1-benzyl-3-(2-methylallyl)benzimidazol-3-ium chloride Formula: C18H19ClN2 MolecularWeight: 298.80986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[N+]1=CN(C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(=C)C[N+]1=CN(C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H19N2.ClH/c1-15(2)12-19-14-20(13-16-8-4-3-5-9-16)18-11-7-6-10-17(18)19;/h3-11,14H,1,12-13H2,2H3;1H/q+1;/p-1