(6R)-4-cyclobutyl-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-cyclobutyl-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-cyclobutyl-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-cyclobutyl-6-methoxy-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-cyclobutyl-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-cyclobutyl-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C16H24N3O2+ MolecularWeight: 290.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C[NH+](CC(=O)N(C1)CC2=CN=CC=C2)C3CCC3

Isomeric SMILES

CO[C@H]1C[NH+](CC(=O)N(C1)CC2=CN=CC=C2)C3CCC3

InChI

InChI=1S/C16H23N3O2/c1-21-15-10-18(14-5-2-6-14)12-16(20)19(11-15)9-13-4-3-7-17-8-13/h3-4,7-8,14-15H,2,5-6,9-12H2,1H3/p+1/t15-/m0/s1