2-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole

Systemtic Name: 2-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole Openeye Name: 2-[(E)-2-(1-butylpyridin-1-ium-4-yl)vinyl]-5,6-dimethyl-1H-benzimidazole CAS Name: 2-[(E)-2-(1-butyl-4-pyridin-1-iumyl)ethenyl]-5,6-dimethyl-1H-benzimidazole IUPAC Name: 2-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole Traditional Name: 2-[(E)-2-(1-butylpyridin-1-ium-4-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=C(C=C1)C=CC2=NC3=C(N2)C=C(C(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3/c1-4-5-10-23-11-8-17(9-12-23)6-7-20-21-18-13-15(2)16(3)14-19(18)22-20/h6-9,11-14H,4-5,10H2,1-3H3/p+1