1-heptyl-3-propyl-imidazol-3-ium; 3-methoxybicyclo[2.2.0]hexa-1(4),2,5-triene; bromide

Systemtic Name: 1-heptyl-3-propyl-imidazol-3-ium; 3-methoxybicyclo[2.2.0]hexa-1(4),2,5-triene; bromide Openeye Name: 1-heptyl-3-propyl-imidazol-3-ium; 3-methoxybicyclo[2.2.0]hexa-1(4),2,5-triene; bromide CAS Name: 1-heptyl-3-propylimidazol-3-ium; 3-methoxybicyclo[2.2.0]hexa-1(4),2,5-triene; bromide IUPAC Name: 1-heptyl-3-propylimidazol-3-ium; 3-methoxybicyclo[2.2.0]hexa-1(4),2,5-triene; bromide Traditional Name: 1-heptyl-3-propyl-imidazol-3-ium; 3-methoxybicyclo[2.2.0]hexa-1(4),2,5-triene; bromide Formula: C20H31BrN2O MolecularWeight: 395.37694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=C[N+](=C1)CCC.COC1=CC2=C1C=C2.[Br-]

Isomeric SMILES

CCCCCCCN1C=C[N+](=C1)CCC.COC1=CC2=C1C=C2.[Br-]

InChI

InChI=1S/C13H25N2.C7H6O.BrH/c1-3-5-6-7-8-10-15-12-11-14(13-15)9-4-2;1-8-7-4-5-2-3-6(5)7;/h11-13H,3-10H2,1-2H3;2-4H,1H3;1H/q+1;;/p-1