(E)-2-(1H-benzimidazol-2-yl)-3-[1-(3,4-dimethylphenyl)-4H-pyrazol-1-ium-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-(3,4-dimethylphenyl)-4H-pyrazol-1-ium-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-(3,4-dimethylphenyl)-4H-pyrazol-1-ium-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-(3,4-dimethylphenyl)-4H-pyrazol-1-ium-4-yl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-(3,4-dimethylphenyl)-4H-pyrazol-1-ium-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[1-(3,4-dimethylphenyl)-4H-pyrazol-1-ium-4-yl]acrylonitrile Formula: C21H18N5+ MolecularWeight: 340.40112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+]2=CC(C=N2)C=C(C#N)C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+]2=CC(C=N2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C21H18N5/c1-14-7-8-18(9-15(14)2)26-13-16(12-23-26)10-17(11-22)21-24-19-5-3-4-6-20(19)25-21/h3-10,12-13,16H,1-2H3,(H,24,25)/q+1/b17-10+