5-chloranyl-1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium

Systemtic Name: 5-chloranyl-1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium Openeye Name: 5-chloro-1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium CAS Name: 5-chloro-1-ethyl-2-methyl-3-octylbenzimidazol-1-ium IUPAC Name: 5-chloro-1-ethyl-2-methyl-3-octylbenzimidazol-1-ium Traditional Name: 5-chloro-1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium Formula: C18H28ClN2+ MolecularWeight: 307.88132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)Cl)CC)C

Isomeric SMILES

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)Cl)CC)C

InChI

InChI=1S/C18H28ClN2/c1-4-6-7-8-9-10-13-21-15(3)20(5-2)17-12-11-16(19)14-18(17)21/h11-12,14H,4-10,13H2,1-3H3/q+1