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

Systemtic Name: (6R)-4-(oxan-4-yl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-1-(3-pyridylmethyl)-4-tetrahydropyran-4-yl-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(4-oxanyl)-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-(oxan-4-yl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-1-(3-pyridylmethyl)-4-tetrahydropyran-4-yl-1,4-diazepan-4-ium-2-one Formula: C23H30N3O3+ MolecularWeight: 396.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1[NH+]2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1COCCC1[NH+]2C[C@@H](CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3/c27-23-17-25(21-8-11-28-12-9-21)15-22(29-18-19-5-2-1-3-6-19)16-26(23)14-20-7-4-10-24-13-20/h1-7,10,13,21-22H,8-9,11-12,14-18H2/p+1/t22-/m0/s1