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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(C[NH+](CC2=O)CC3=CC=CC=N3)OCC4=CC=CC=C4

Isomeric SMILES

C1COCCC1CN2C[C@H](C[NH+](CC2=O)CC3=CC=CC=N3)OCC4=CC=CC=C4

InChI

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