3-[2-(hydroxymethyl)-3H-benzimidazol-1-ium-1-yl]-1-phenyl-propan-1-one

Systemtic Name: 3-[2-(hydroxymethyl)-3H-benzimidazol-1-ium-1-yl]-1-phenyl-propan-1-one Openeye Name: 3-[2-(hydroxymethyl)-3H-benzimidazol-1-ium-1-yl]-1-phenyl-propan-1-one CAS Name: 3-[2-(hydroxymethyl)-3H-benzimidazol-1-ium-1-yl]-1-phenyl-1-propanone IUPAC Name: 3-[2-(hydroxymethyl)-3H-benzimidazol-1-ium-1-yl]-1-phenylpropan-1-one Traditional Name: 3-(2-methylol-3H-benzimidazol-1-ium-1-yl)-1-phenyl-propan-1-one Formula: C17H17N2O2+ MolecularWeight: 281.32908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC[N+]2=C(NC3=CC=CC=C32)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC[N+]2=C(NC3=CC=CC=C32)CO

InChI

InChI=1S/C17H16N2O2/c20-12-17-18-14-8-4-5-9-15(14)19(17)11-10-16(21)13-6-2-1-3-7-13/h1-9,20H,10-12H2/p+1