1-(3-chlorophenyl)-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium-5-carbonitrile

Systemtic Name: 1-(3-chlorophenyl)-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium-5-carbonitrile Openeye Name: 1-(3-chlorophenyl)-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium-5-carbonitrile CAS Name: 1-(3-chlorophenyl)-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)-5-benzimidazol-1-iumcarbonitrile IUPAC Name: 1-(3-chlorophenyl)-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium-5-carbonitrile Traditional Name: 1-(3-chlorophenyl)-1-ethyl-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium-5-carbonitrile Formula: C20H17ClN5+ MolecularWeight: 362.83548

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=NC2=C1C=CC(=C2C3=CC=NN3)C#N)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC[N+]1(C(=NC2=C1C=CC(=C2C3=CC=NN3)C#N)C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H17ClN5/c1-3-26(16-6-4-5-15(21)11-16)13(2)24-20-18(26)8-7-14(12-22)19(20)17-9-10-23-25-17/h4-11H,3H2,1-2H3,(H,23,25)/q+1