2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-3-(2-methylpropyl)-1H-benzimidazol-3-ium

Systemtic Name: 2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-3-(2-methylpropyl)-1H-benzimidazol-3-ium Openeye Name: 3-isobutyl-2-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-benzimidazol-3-ium CAS Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-3-(2-methylpropyl)-1H-benzimidazol-3-ium IUPAC Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-3-(2-methylpropyl)-1H-benzimidazol-3-ium Traditional Name: 3-isobutyl-2-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-benzimidazol-3-ium Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O/c1-15(2)13-24-20-9-7-6-8-19(20)23-22(24)14-25-21-12-17(5)10-11-18(21)16(3)4/h6-12,15-16H,13-14H2,1-5H3/p+1