1-[4-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]-2-phenyl-ethane-1,2-dione

Systemtic Name: 1-[4-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]-2-phenyl-ethane-1,2-dione Openeye Name: 1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]-2-phenyl-ethane-1,2-dione CAS Name: 1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]methyl]phenyl]-2-phenylethane-1,2-dione IUPAC Name: 1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione Traditional Name: 1-[4-[[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]-2-phenyl-ethane-1,2-dione Formula: C27H26N3O3+ MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C(=O)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C(=O)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c31-25(20-6-2-1-3-7-20)26(32)21-12-10-19(11-13-21)18-29-16-14-22(15-17-29)30-24-9-5-4-8-23(24)28-27(30)33/h1-13,22H,14-18H2,(H,28,33)/p+1