4-[1-[7-(1H-benzimidazol-2-yl)heptan-2-yl]piperidin-1-ium-1-yl]benzenecarbonitrile

Systemtic Name: 4-[1-[7-(1H-benzimidazol-2-yl)heptan-2-yl]piperidin-1-ium-1-yl]benzenecarbonitrile Openeye Name: 4-[1-[6-(1H-benzimidazol-2-yl)-1-methyl-hexyl]piperidin-1-ium-1-yl]benzonitrile CAS Name: 4-[1-[7-(1H-benzimidazol-2-yl)heptan-2-yl]-1-piperidin-1-iumyl]benzonitrile IUPAC Name: 4-[1-[7-(1H-benzimidazol-2-yl)heptan-2-yl]piperidin-1-ium-1-yl]benzonitrile Traditional Name: 4-[1-[6-(1H-benzimidazol-2-yl)-1-methyl-hexyl]piperidin-1-ium-1-yl]benzonitrile Formula: C26H33N4+ MolecularWeight: 401.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC1=NC2=CC=CC=C2N1)[N+]3(CCCCC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(CCCCCC1=NC2=CC=CC=C2N1)[N+]3(CCCCC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H33N4/c1-21(10-4-2-5-13-26-28-24-11-6-7-12-25(24)29-26)30(18-8-3-9-19-30)23-16-14-22(20-27)15-17-23/h6-7,11-12,14-17,21H,2-5,8-10,13,18-19H2,1H3,(H,28,29)/q+1