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

Systemtic Name: 1-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane Openeye Name: 1-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane CAS Name: 1-[[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane IUPAC Name: 1-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 1-[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]-1,4,7,10-tetrazacyclododecane Formula: C20H33N6+ MolecularWeight: 357.51622

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CN3CCNCCNCCNCC3

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CN3CCNCCNCCNCC3

InChI

InChI=1S/C20H33N6/c1-24-14-15-26(18-24)17-20-4-2-19(3-5-20)16-25-12-10-22-8-6-21-7-9-23-11-13-25/h2-5,14-15,18,21-23H,6-13,16-17H2,1H3/q+1