3-[(3-methylphenyl)methyl]-2-propan-2-yl-1H-benzimidazol-3-ium

Systemtic Name: 3-[(3-methylphenyl)methyl]-2-propan-2-yl-1H-benzimidazol-3-ium Openeye Name: 2-isopropyl-3-(m-tolylmethyl)-1H-benzimidazol-3-ium CAS Name: 3-[(3-methylphenyl)methyl]-2-propan-2-yl-1H-benzimidazol-3-ium IUPAC Name: 3-[(3-methylphenyl)methyl]-2-propan-2-yl-1H-benzimidazol-3-ium Traditional Name: 2-isopropyl-3-(3-methylbenzyl)-1H-benzimidazol-3-ium Formula: C18H21N2+ MolecularWeight: 265.37274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[N+]2=C(NC3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[N+]2=C(NC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C18H20N2/c1-13(2)18-19-16-9-4-5-10-17(16)20(18)12-15-8-6-7-14(3)11-15/h4-11,13H,12H2,1-3H3/p+1