2-(1,4-dimethylpyridin-1-ium-2-yl)-1-dodecyl-3-methyl-benzimidazol-3-ium

Systemtic Name: 2-(1,4-dimethylpyridin-1-ium-2-yl)-1-dodecyl-3-methyl-benzimidazol-3-ium Openeye Name: 2-(1,4-dimethylpyridin-1-ium-2-yl)-1-dodecyl-3-methyl-benzimidazol-3-ium CAS Name: 2-(1,4-dimethyl-2-pyridin-1-iumyl)-1-dodecyl-3-methylbenzimidazol-3-ium IUPAC Name: 2-(1,4-dimethylpyridin-1-ium-2-yl)-1-dodecyl-3-methylbenzimidazol-3-ium Traditional Name: 2-(1,4-dimethylpyridin-1-ium-2-yl)-1-lauryl-3-methyl-benzimidazol-3-ium Formula: C27H41N3+2 MolecularWeight: 407.63454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=[N+](C=CC(=C3)C)C)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=[N+](C=CC(=C3)C)C)C

InChI

InChI=1S/C27H41N3/c1-5-6-7-8-9-10-11-12-13-16-20-30-25-18-15-14-17-24(25)29(4)27(30)26-22-23(2)19-21-28(26)3/h14-15,17-19,21-22H,5-13,16,20H2,1-4H3/q+2