5,6-bis(chloranyl)-2-methyl-1-octyl-3-pentyl-benzimidazol-3-ium

Systemtic Name: 5,6-bis(chloranyl)-2-methyl-1-octyl-3-pentyl-benzimidazol-3-ium Openeye Name: 5,6-dichloro-2-methyl-1-octyl-3-pentyl-benzimidazol-3-ium CAS Name: 5,6-dichloro-2-methyl-1-octyl-3-pentylbenzimidazol-3-ium IUPAC Name: 5,6-dichloro-2-methyl-1-octyl-3-pentylbenzimidazol-3-ium Traditional Name: 1-amyl-5,6-dichloro-2-methyl-3-octyl-benzimidazol-1-ium Formula: C21H33Cl2N2+ MolecularWeight: 384.40612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCCC)C

Isomeric SMILES

CCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCCC)C

InChI

InChI=1S/C21H33Cl2N2/c1-4-6-8-9-10-12-14-25-17(3)24(13-11-7-5-2)20-15-18(22)19(23)16-21(20)25/h15-16H,4-14H2,1-3H3/q+1