2-[(E)-2-(1-butylpyridin-1-ium-3-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole

Systemtic Name: 2-[(E)-2-(1-butylpyridin-1-ium-3-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole Openeye Name: 2-[(E)-2-(1-butylpyridin-1-ium-3-yl)vinyl]-5,6-dimethyl-1H-benzimidazole CAS Name: 2-[(E)-2-(1-butyl-3-pyridin-1-iumyl)ethenyl]-5,6-dimethyl-1H-benzimidazole IUPAC Name: 2-[(E)-2-(1-butylpyridin-1-ium-3-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole Traditional Name: 2-[(E)-2-(1-butylpyridin-1-ium-3-yl)vinyl]-5,6-dimethyl-1H-benzimidazole Formula: C20H24N3+ MolecularWeight: 306.42466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC(=C1)C=CC2=NC3=C(N2)C=C(C(=C3)C)C

Isomeric SMILES

CCCC[N+]1=CC=CC(=C1)/C=C/C2=NC3=C(N2)C=C(C(=C3)C)C

InChI

InChI=1S/C20H24N3/c1-4-5-10-23-11-6-7-17(14-23)8-9-20-21-18-12-15(2)16(3)13-19(18)22-20/h6-9,11-14H,4-5,10H2,1-3H3,(H,21,22)/q+1/b9-8+