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

Systemtic Name: 2-[(3-methylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium Openeye Name: 2-[(3-methylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium CAS Name: 2-[(3-methylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium IUPAC Name: 2-[(3-methylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium Traditional Name: 2-[(3-methylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium Formula: C18H21N2O+ MolecularWeight: 281.37214

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(NC2=CC=CC=C21)COC3=CC=CC(=C3)C

Isomeric SMILES

CCC[N+]1=C(NC2=CC=CC=C21)COC3=CC=CC(=C3)C

InChI

InChI=1S/C18H20N2O/c1-3-11-20-17-10-5-4-9-16(17)19-18(20)13-21-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3/p+1