3-(3-methylbutyl)-2-(phenylmethyl)-1H-benzimidazol-3-ium

Systemtic Name: 3-(3-methylbutyl)-2-(phenylmethyl)-1H-benzimidazol-3-ium Openeye Name: 2-benzyl-3-isopentyl-1H-benzimidazol-3-ium CAS Name: 3-(3-methylbutyl)-2-(phenylmethyl)-1H-benzimidazol-3-ium IUPAC Name: 2-benzyl-3-(3-methylbutyl)-1H-benzimidazol-3-ium Traditional Name: 2-benzyl-3-isoamyl-1H-benzimidazol-3-ium Formula: C19H23N2+ MolecularWeight: 279.39932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=C(NC2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC[N+]1=C(NC2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2/c1-15(2)12-13-21-18-11-7-6-10-17(18)20-19(21)14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3/p+1