3-(decoxymethyl)-1,2,5-trimethyl-benzimidazol-1-ium

Systemtic Name: 3-(decoxymethyl)-1,2,5-trimethyl-benzimidazol-1-ium Openeye Name: 3-(decoxymethyl)-1,2,5-trimethyl-benzimidazol-1-ium CAS Name: 3-(decoxymethyl)-1,2,5-trimethylbenzimidazol-1-ium IUPAC Name: 3-(decoxymethyl)-1,2,5-trimethylbenzimidazol-1-ium Traditional Name: 3-(decoxymethyl)-1,2,5-trimethyl-benzimidazol-1-ium Formula: C21H35N2O+ MolecularWeight: 331.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCN1C(=[N+](C2=C1C=C(C=C2)C)C)C

Isomeric SMILES

CCCCCCCCCCOCN1C(=[N+](C2=C1C=C(C=C2)C)C)C

InChI

InChI=1S/C21H35N2O/c1-5-6-7-8-9-10-11-12-15-24-17-23-19(3)22(4)20-14-13-18(2)16-21(20)23/h13-14,16H,5-12,15,17H2,1-4H3/q+1