(6R)-1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-(3-pyridylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-(4-oxanylmethyl)-6-phenylmethoxy-4-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-(3-pyridylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C24H32N3O3+ MolecularWeight: 410.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(C[NH+](CC2=O)CC3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1COCCC1CN2C[C@H](C[NH+](CC2=O)CC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3/c28-24-18-26(14-22-7-4-10-25-13-22)16-23(30-19-21-5-2-1-3-6-21)17-27(24)15-20-8-11-29-12-9-20/h1-7,10,13,20,23H,8-9,11-12,14-19H2/p+1/t23-/m0/s1