1-ethyl-3-(hexadecoxymethyl)-2-phenyl-imidazol-3-ium

Systemtic Name: 1-ethyl-3-(hexadecoxymethyl)-2-phenyl-imidazol-3-ium Openeye Name: 1-ethyl-3-(hexadecoxymethyl)-2-phenyl-imidazol-3-ium CAS Name: 1-ethyl-3-(hexadecoxymethyl)-2-phenylimidazol-3-ium IUPAC Name: 1-ethyl-3-(hexadecoxymethyl)-2-phenylimidazol-3-ium Traditional Name: 1-(cetyloxymethyl)-3-ethyl-2-phenyl-imidazol-1-ium Formula: C28H47N2O+ MolecularWeight: 427.68558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC[N+]1=C(N(C=C1)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[N+]1=C(N(C=C1)CC)C2=CC=CC=C2

InChI

InChI=1S/C28H47N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-25-31-26-30-24-23-29(4-2)28(30)27-21-18-17-19-22-27/h17-19,21-24H,3-16,20,25-26H2,1-2H3/q+1