1-[2-[2-oxidanyl-3-(2-propan-2-yl-3H-benzimidazol-1-ium-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[2-[2-oxidanyl-3-(2-propan-2-yl-3H-benzimidazol-1-ium-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[2-[2-hydroxy-3-(2-isopropyl-3H-benzimidazol-1-ium-1-yl)propoxy]phenyl]ethanone CAS Name: 1-[2-[2-hydroxy-3-(2-propan-2-yl-3H-benzimidazol-1-ium-1-yl)propoxy]phenyl]ethanone IUPAC Name: 1-[2-[2-hydroxy-3-(2-propan-2-yl-3H-benzimidazol-1-ium-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[2-[2-hydroxy-3-(2-isopropyl-3H-benzimidazol-1-ium-1-yl)propoxy]phenyl]ethanone Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C2=CC=CC=C2N1)CC(COC3=CC=CC=C3C(=O)C)O

Isomeric SMILES

CC(C)C1=[N+](C2=CC=CC=C2N1)CC(COC3=CC=CC=C3C(=O)C)O

InChI

InChI=1S/C21H24N2O3/c1-14(2)21-22-18-9-5-6-10-19(18)23(21)12-16(25)13-26-20-11-7-4-8-17(20)15(3)24/h4-11,14,16,25H,12-13H2,1-3H3/p+1