(6R)-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-(quinolin-2-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-(quinolin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-(3-pyridylmethoxy)-4-(2-quinolylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-(4-oxanylmethyl)-6-(3-pyridinylmethoxy)-4-(2-quinolinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-(quinolin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-(3-pyridylmethoxy)-4-(2-quinolylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(C[NH+](CC2=O)CC3=NC4=CC=CC=C4C=C3)OCC5=CN=CC=C5

Isomeric SMILES

C1COCCC1CN2C[C@H](C[NH+](CC2=O)CC3=NC4=CC=CC=C4C=C3)OCC5=CN=CC=C5

InChI

InChI=1S/C27H32N4O3/c32-27-19-30(16-24-8-7-23-5-1-2-6-26(23)29-24)17-25(34-20-22-4-3-11-28-14-22)18-31(27)15-21-9-12-33-13-10-21/h1-8,11,14,21,25H,9-10,12-13,15-20H2/p+1/t25-/m0/s1