3-(3-methylbutyl)-2-[(4-methylphenoxy)methyl]-1H-benzimidazol-3-ium

Systemtic Name: 3-(3-methylbutyl)-2-[(4-methylphenoxy)methyl]-1H-benzimidazol-3-ium Openeye Name: 3-isopentyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazol-3-ium CAS Name: 3-(3-methylbutyl)-2-[(4-methylphenoxy)methyl]-1H-benzimidazol-3-ium IUPAC Name: 3-(3-methylbutyl)-2-[(4-methylphenoxy)methyl]-1H-benzimidazol-3-ium Traditional Name: 3-isoamyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazol-3-ium Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O/c1-15(2)12-13-22-19-7-5-4-6-18(19)21-20(22)14-23-17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3/p+1