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

Systemtic Name: 2-methyl-3-(3-methylbutyl)-1H-benzimidazol-3-ium Openeye Name: 3-isopentyl-2-methyl-1H-benzimidazol-3-ium CAS Name: 2-methyl-3-(3-methylbutyl)-1H-benzimidazol-3-ium IUPAC Name: 2-methyl-3-(3-methylbutyl)-1H-benzimidazol-3-ium Traditional Name: 3-isoamyl-2-methyl-1H-benzimidazol-3-ium Formula: C13H19N2+ MolecularWeight: 203.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1)CCC(C)C

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1)CCC(C)C

InChI

InChI=1S/C13H18N2/c1-10(2)8-9-15-11(3)14-12-6-4-5-7-13(12)15/h4-7,10H,8-9H2,1-3H3/p+1