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

Systemtic Name: (3-acetyloxy-1-adamantyl)-oxidanylidene-[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium Openeye Name: (3-acetoxy-1-adamantyl)-oxo-[4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]ammonium CAS Name: (3-acetyloxy-1-adamantyl)-oxo-[4-[6-[oxo-(2-pyridinylamino)methyl]-1H-benzimidazol-2-yl]phenyl]ammonium IUPAC Name: (3-acetyloxy-1-adamantyl)-oxo-[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]azanium Traditional Name: (3-acetoxy-1-adamantyl)-keto-[4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]ammonium Formula: C31H30N5O4+ MolecularWeight: 536.601

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC12CC3CC(C1)CC(C3)(C2)[N+](=O)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

Isomeric SMILES

CC(=O)OC12CC3CC(C1)CC(C3)(C2)[N+](=O)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

InChI

InChI=1S/C31H29N5O4/c1-19(37)40-31-16-20-12-21(17-31)15-30(14-20,18-31)36(39)24-8-5-22(6-9-24)28-33-25-10-7-23(13-26(25)34-28)29(38)35-27-4-2-3-11-32-27/h2-11,13,20-21H,12,14-18H2,1H3,(H-,32,33,34,35,38,39)/p+1