(6R)-1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(quinolin-4-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(quinolin-4-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-(4-quinolylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-(4-oxanylmethyl)-6-phenylmethoxy-4-(4-quinolinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(quinolin-4-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-(4-quinolylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C28H34N3O3+ MolecularWeight: 460.58786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(C[NH+](CC2=O)CC3=CC=NC4=CC=CC=C34)OCC5=CC=CC=C5

Isomeric SMILES

C1COCCC1CN2C[C@H](C[NH+](CC2=O)CC3=CC=NC4=CC=CC=C34)OCC5=CC=CC=C5

InChI

InChI=1S/C28H33N3O3/c32-28-20-30(17-24-10-13-29-27-9-5-4-8-26(24)27)18-25(34-21-23-6-2-1-3-7-23)19-31(28)16-22-11-14-33-15-12-22/h1-10,13,22,25H,11-12,14-21H2/p+1/t25-/m0/s1