1-[4-(1H-benzimidazol-3-ium-2-ylmethoxy)phenyl]butan-1-one

Systemtic Name: 1-[4-(1H-benzimidazol-3-ium-2-ylmethoxy)phenyl]butan-1-one Openeye Name: 1-[4-(1H-benzimidazol-3-ium-2-ylmethoxy)phenyl]butan-1-one CAS Name: 1-[4-(1H-benzimidazol-3-ium-2-ylmethoxy)phenyl]-1-butanone IUPAC Name: 1-[4-(1H-benzimidazol-3-ium-2-ylmethoxy)phenyl]butan-1-one Traditional Name: 1-[4-(1H-benzimidazol-3-ium-2-ylmethoxy)phenyl]butan-1-one Formula: C18H19N2O2+ MolecularWeight: 295.35566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)OCC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)OCC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C18H18N2O2/c1-2-5-17(21)13-8-10-14(11-9-13)22-12-18-19-15-6-3-4-7-16(15)20-18/h3-4,6-11H,2,5,12H2,1H3,(H,19,20)/p+1