(6R)-6-methoxy-4-[(3-phenoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-methoxy-4-[(3-phenoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-methoxy-4-[(3-phenoxyphenyl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-methoxy-4-[(3-phenoxyphenyl)methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-methoxy-4-[(3-phenoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-methoxy-4-(3-phenoxybenzyl)-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C25H28N3O3+ MolecularWeight: 418.50812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C[NH+](CC(=O)N(C1)CC2=CN=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CO[C@H]1C[NH+](CC(=O)N(C1)CC2=CN=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-30-24-17-27(19-25(29)28(18-24)16-21-8-6-12-26-14-21)15-20-7-5-11-23(13-20)31-22-9-3-2-4-10-22/h2-14,24H,15-19H2,1H3/p+1/t24-/m0/s1