5-chloranyl-2-methyl-3-octyl-1-(phenylmethyl)benzimidazol-1-ium

Systemtic Name: 5-chloranyl-2-methyl-3-octyl-1-(phenylmethyl)benzimidazol-1-ium Openeye Name: 1-benzyl-5-chloro-2-methyl-3-octyl-benzimidazol-1-ium CAS Name: 5-chloro-2-methyl-3-octyl-1-(phenylmethyl)benzimidazol-1-ium IUPAC Name: 1-benzyl-5-chloro-2-methyl-3-octylbenzimidazol-1-ium Traditional Name: 1-benzyl-5-chloro-2-methyl-3-octyl-benzimidazol-1-ium Formula: C23H30ClN2+ MolecularWeight: 369.9507

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)Cl)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)Cl)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H30ClN2/c1-3-4-5-6-7-11-16-25-19(2)26(18-20-12-9-8-10-13-20)22-15-14-21(24)17-23(22)25/h8-10,12-15,17H,3-7,11,16,18H2,1-2H3/q+1