1-butyl-2-methyl-3-(octoxymethyl)benzimidazol-3-ium

Systemtic Name: 1-butyl-2-methyl-3-(octoxymethyl)benzimidazol-3-ium Openeye Name: 1-butyl-2-methyl-3-(octoxymethyl)benzimidazol-3-ium CAS Name: 1-butyl-2-methyl-3-(octoxymethyl)benzimidazol-3-ium IUPAC Name: 1-butyl-2-methyl-3-(octoxymethyl)benzimidazol-3-ium Traditional Name: 1-butyl-2-methyl-3-(octoxymethyl)benzimidazol-3-ium Formula: C21H35N2O+ MolecularWeight: 331.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC[N+]1=C(N(C2=CC=CC=C21)CCCC)C

Isomeric SMILES

CCCCCCCCOC[N+]1=C(N(C2=CC=CC=C21)CCCC)C

InChI

InChI=1S/C21H35N2O/c1-4-6-8-9-10-13-17-24-18-23-19(3)22(16-7-5-2)20-14-11-12-15-21(20)23/h11-12,14-15H,4-10,13,16-18H2,1-3H3/q+1