2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]benzimidazole CAS Name: 2-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzimidazole Traditional Name: 1-benzyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]benzimidazole Formula: C22H20N3+ MolecularWeight: 326.4143

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C22H20N3/c1-24-15-13-18(14-16-24)11-12-22-23-20-9-5-6-10-21(20)25(22)17-19-7-3-2-4-8-19/h2-16H,17H2,1H3/q+1