1-(phenylmethoxymethyl)-1,4,7,10-tetrakis(phenylmethyl)-4,7,10-triaza-1-azoniacyclododecane

Systemtic Name: 1-(phenylmethoxymethyl)-1,4,7,10-tetrakis(phenylmethyl)-4,7,10-triaza-1-azoniacyclododecane Openeye Name: 1,4,7,10-tetrabenzyl-1-(benzyloxymethyl)-4,7,10-triaza-1-azoniacyclododecane CAS Name: 1-(phenylmethoxymethyl)-1,4,7,10-tetrakis(phenylmethyl)-4,7,10-triaza-1-azoniacyclododecane IUPAC Name: 1,4,7,10-tetrabenzyl-1-(phenylmethoxymethyl)-4,7,10-triaza-1-azoniacyclododecane Traditional Name: 1-(benzoxymethyl)-1,4,7,10-tetrabenzyl-4,7,10-triaza-1-azoniacyclododecane Formula: C44H53N4O+ MolecularWeight: 653.91782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[N+](CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)(CC4=CC=CC=C4)COCC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CC[N+](CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)(CC4=CC=CC=C4)COCC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C44H53N4O/c1-6-16-40(17-7-1)34-45-26-28-46(35-41-18-8-2-9-19-41)30-32-48(37-43-22-12-4-13-23-43,39-49-38-44-24-14-5-15-25-44)33-31-47(29-27-45)36-42-20-10-3-11-21-42/h1-25H,26-39H2/q+1