2-[(5,6-dimethyl-2-pentan-3-yl-3H-benzimidazol-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(5,6-dimethyl-2-pentan-3-yl-3H-benzimidazol-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[[2-(1-ethylpropyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[(5,6-dimethyl-2-pentan-3-yl-3H-benzimidazol-1-ium-1-yl)methyl]benzonitrile IUPAC Name: 2-[(5,6-dimethyl-2-pentan-3-yl-3H-benzimidazol-1-ium-1-yl)methyl]benzonitrile Traditional Name: 2-[[2-(1-ethylpropyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]methyl]benzonitrile Formula: C22H26N3+ MolecularWeight: 332.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=[N+](C2=C(N1)C=C(C(=C2)C)C)CC3=CC=CC=C3C#N

Isomeric SMILES

CCC(CC)C1=[N+](C2=C(N1)C=C(C(=C2)C)C)CC3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3/c1-5-17(6-2)22-24-20-11-15(3)16(4)12-21(20)25(22)14-19-10-8-7-9-18(19)13-23/h7-12,17H,5-6,14H2,1-4H3/p+1