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

Systemtic Name: 1-adamantyl-oxidanylidene-[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium Openeye Name: 1-adamantyl-oxo-[4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]ammonium CAS Name: 1-adamantyl-oxo-[4-[6-[oxo-(2-pyridinylamino)methyl]-1H-benzimidazol-2-yl]phenyl]ammonium IUPAC Name: 1-adamantyl-oxo-[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium Traditional Name: 1-adamantyl-keto-[4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]ammonium Formula: C29H28N5O2+ MolecularWeight: 478.56492

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[N+](=O)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[N+](=O)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

InChI

InChI=1S/C29H27N5O2/c35-28(33-26-3-1-2-10-30-26)22-6-9-24-25(14-22)32-27(31-24)21-4-7-23(8-5-21)34(36)29-15-18-11-19(16-29)13-20(12-18)17-29/h1-10,14,18-20H,11-13,15-17H2,(H-,30,31,32,33,35,36)/p+1