(6R)-4-(2,3-dihydro-1H-inden-2-yl)-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-(2,3-dihydro-1H-inden-2-yl)-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-indan-2-yl-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(2,3-dihydro-1H-inden-2-yl)-6-methoxy-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-(2,3-dihydro-1H-inden-2-yl)-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-indan-2-yl-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C[NH+](CC(=O)N(C1)CC2=CN=CC=C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CO[C@H]1C[NH+](CC(=O)N(C1)CC2=CN=CC=C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O2/c1-26-20-13-23(19-9-17-6-2-3-7-18(17)10-19)15-21(25)24(14-20)12-16-5-4-8-22-11-16/h2-8,11,19-20H,9-10,12-15H2,1H3/p+1/t20-/m0/s1