3-methyl-2-[(3-methylphenoxy)methyl]-1H-benzimidazol-3-ium

Systemtic Name: 3-methyl-2-[(3-methylphenoxy)methyl]-1H-benzimidazol-3-ium Openeye Name: 3-methyl-2-[(3-methylphenoxy)methyl]-1H-benzimidazol-3-ium CAS Name: 3-methyl-2-[(3-methylphenoxy)methyl]-1H-benzimidazol-3-ium IUPAC Name: 3-methyl-2-[(3-methylphenoxy)methyl]-1H-benzimidazol-3-ium Traditional Name: 3-methyl-2-[(3-methylphenoxy)methyl]-1H-benzimidazol-3-ium Formula: C16H17N2O+ MolecularWeight: 253.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=[N+](C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=[N+](C3=CC=CC=C3N2)C

InChI

InChI=1S/C16H16N2O/c1-12-6-5-7-13(10-12)19-11-16-17-14-8-3-4-9-15(14)18(16)2/h3-10H,11H2,1-2H3/p+1