(6R)-4-cyclobutyl-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-cyclobutyl-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-cyclobutyl-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-cyclobutyl-1-(4-oxanylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-cyclobutyl-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-cyclobutyl-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C21H32N3O3+ MolecularWeight: 374.49708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)[NH+]2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=N4

Isomeric SMILES

C1CC(C1)[NH+]2C[C@@H](CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=N4

InChI

InChI=1S/C21H31N3O3/c25-21-15-23(19-5-3-6-19)13-20(27-16-18-4-1-2-9-22-18)14-24(21)12-17-7-10-26-11-8-17/h1-2,4,9,17,19-20H,3,5-8,10-16H2/p+1/t20-/m0/s1