3-[[(6R)-4-(oxan-4-ylmethyl)-3-oxidanylidene-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinolin-2-one

Systemtic Name: 3-[[(6R)-4-(oxan-4-ylmethyl)-3-oxidanylidene-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinolin-2-one Openeye Name: 3-[[(6R)-3-oxo-6-(2-pyridylmethoxy)-4-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinolin-2-one CAS Name: 3-[[(6R)-4-(4-oxanylmethyl)-3-oxo-6-(2-pyridinylmethoxy)-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinolin-2-one IUPAC Name: 3-[[(6R)-4-(oxan-4-ylmethyl)-3-oxo-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinolin-2-one Traditional Name: 3-[[(6R)-3-keto-6-(2-pyridylmethoxy)-4-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]carbostyril Formula: C27H33N4O4+ MolecularWeight: 477.57532

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(C[NH+](CC2=O)CC3=CC4=CC=CC=C4NC3=O)OCC5=CC=CC=N5

Isomeric SMILES

C1COCCC1CN2C[C@H](C[NH+](CC2=O)CC3=CC4=CC=CC=C4NC3=O)OCC5=CC=CC=N5

InChI

InChI=1S/C27H32N4O4/c32-26-18-30(15-22-13-21-5-1-2-7-25(21)29-27(22)33)16-24(35-19-23-6-3-4-10-28-23)17-31(26)14-20-8-11-34-12-9-20/h1-7,10,13,20,24H,8-9,11-12,14-19H2,(H,29,33)/p+1/t24-/m0/s1