2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazol-3-ium chloride

Systemtic Name: 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazol-3-ium chloride Openeye Name: 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazol-3-ium chloride CAS Name: 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazol-3-ium chloride IUPAC Name: 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazol-3-ium chloride Traditional Name: 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazol-3-ium chloride Formula: C18H21ClN2 MolecularWeight: 300.82574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCC2=[NH+]C3=CC=CC=C3N2)C.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)CCCC2=[NH+]C3=CC=CC=C3N2)C.[Cl-]

InChI

InChI=1S/C18H20N2.ClH/c1-13-10-11-15(12-14(13)2)6-5-9-18-19-16-7-3-4-8-17(16)20-18;/h3-4,7-8,10-12H,5-6,9H2,1-2H3,(H,19,20);1H