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

Systemtic Name: 2-[(E)-2-(1-decylpyridin-1-ium-4-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole Openeye Name: 2-[(E)-2-(1-decylpyridin-1-ium-4-yl)vinyl]-5,6-dimethyl-1H-benzimidazole CAS Name: 2-[(E)-2-(1-decyl-4-pyridin-1-iumyl)ethenyl]-5,6-dimethyl-1H-benzimidazole IUPAC Name: 2-[(E)-2-(1-decylpyridin-1-ium-4-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole Traditional Name: 2-[(E)-2-(1-decylpyridin-1-ium-4-yl)vinyl]-5,6-dimethyl-1H-benzimidazole Formula: C26H36N3+ MolecularWeight: 390.58414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3/c1-4-5-6-7-8-9-10-11-16-29-17-14-23(15-18-29)12-13-26-27-24-19-21(2)22(3)20-25(24)28-26/h12-15,17-20H,4-11,16H2,1-3H3/p+1