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

Systemtic Name: 3-(3-methylbutyl)-2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1H-benzimidazol-3-ium Openeye Name: 3-isopentyl-2-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-benzimidazol-3-ium CAS Name: 3-(3-methylbutyl)-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-benzimidazol-3-ium IUPAC Name: 3-(3-methylbutyl)-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-benzimidazol-3-ium Traditional Name: 3-isoamyl-2-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-benzimidazol-3-ium Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O/c1-16(2)12-13-25-21-9-7-6-8-20(21)24-23(25)15-26-22-14-18(5)10-11-19(22)17(3)4/h6-11,14,16-17H,12-13,15H2,1-5H3/p+1