2-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-1H-benzimidazole

Systemtic Name: 2-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-1H-benzimidazole Openeye Name: 2-[(E)-2-(1-butylpyridin-1-ium-4-yl)vinyl]-1H-benzimidazole CAS Name: 2-[(E)-2-(1-butyl-4-pyridin-1-iumyl)ethenyl]-1H-benzimidazole IUPAC Name: 2-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-1H-benzimidazole Traditional Name: 2-[(E)-2-(1-butylpyridin-1-ium-4-yl)vinyl]-1H-benzimidazole Formula: C18H20N3+ MolecularWeight: 278.3715

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H19N3/c1-2-3-12-21-13-10-15(11-14-21)8-9-18-19-16-6-4-5-7-17(16)20-18/h4-11,13-14H,2-3,12H2,1H3/p+1