1-[[4-[(3-dodecylimidazol-1-ium-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1-[[4-[(3-dodecylimidazol-1-ium-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane Openeye Name: 1-[[4-[(3-dodecylimidazol-1-ium-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane CAS Name: 1-[[4-[(3-dodecyl-1-imidazol-1-iumyl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane IUPAC Name: 1-[[4-[(3-dodecylimidazol-1-ium-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 1-[4-[(3-laurylimidazol-1-ium-1-yl)methyl]benzyl]-1,4,7,10-tetrazacyclododecane Formula: C31H55N6+ MolecularWeight: 511.8086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=C[N+](=C1)CC2=CC=C(C=C2)CN3CCNCCNCCNCC3

Isomeric SMILES

CCCCCCCCCCCCN1C=C[N+](=C1)CC2=CC=C(C=C2)CN3CCNCCNCCNCC3

InChI

InChI=1S/C31H55N6/c1-2-3-4-5-6-7-8-9-10-11-22-36-25-26-37(29-36)28-31-14-12-30(13-15-31)27-35-23-20-33-18-16-32-17-19-34-21-24-35/h12-15,25-26,29,32-34H,2-11,16-24,27-28H2,1H3/q+1