1-[5-ethyl-2,4-bis(oxidanyl)phenyl]-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)ethanone

Systemtic Name: 1-[5-ethyl-2,4-bis(oxidanyl)phenyl]-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)ethanone Openeye Name: 1-(5-ethyl-2,4-dihydroxy-phenyl)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)ethanone CAS Name: 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)ethanone IUPAC Name: 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)ethanone Traditional Name: 1-(5-ethyl-2,4-dihydroxy-phenyl)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)ethanone Formula: C18H19N2O3+ MolecularWeight: 311.35506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)CC2=[N+](C3=CC=CC=C3N2)C)O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)CC2=[N+](C3=CC=CC=C3N2)C)O)O

InChI

InChI=1S/C18H18N2O3/c1-3-11-8-12(16(22)9-15(11)21)17(23)10-18-19-13-6-4-5-7-14(13)20(18)2/h4-9H,3,10H2,1-2H3,(H2,21,22,23)/p+1