(2-methylcyclohexyl)-oxidanylidene-[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium

Systemtic Name: (2-methylcyclohexyl)-oxidanylidene-[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium Openeye Name: (2-methylcyclohexyl)-oxo-[4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]ammonium CAS Name: (2-methylcyclohexyl)-oxo-[4-[6-[oxo-(2-pyridinylamino)methyl]-1H-benzimidazol-2-yl]phenyl]ammonium IUPAC Name: (2-methylcyclohexyl)-oxo-[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium Traditional Name: keto-(2-methylcyclohexyl)-[4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]ammonium Formula: C26H26N5O2+ MolecularWeight: 440.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[N+](=O)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)NC5=CC=CC=N5

Isomeric SMILES

CC1CCCCC1[N+](=O)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)NC5=CC=CC=N5

InChI

InChI=1S/C26H25N5O2/c1-17-6-2-3-7-23(17)31(33)20-12-9-18(10-13-20)25-28-21-14-11-19(16-22(21)29-25)26(32)30-24-8-4-5-15-27-24/h4-5,8-17,23H,2-3,6-7H2,1H3,(H-,27,28,29,30,32,33)/p+1