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

Systemtic Name: (6R)-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-(2-pyridylmethoxy)-4-(3-pyridylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-(4-oxanylmethyl)-6-(2-pyridinylmethoxy)-4-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-(2-pyridylmethoxy)-4-(3-pyridylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(C[NH+](CC2=O)CC3=CN=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1COCCC1CN2C[C@H](C[NH+](CC2=O)CC3=CN=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C23H30N4O3/c28-23-17-26(13-20-4-3-8-24-12-20)15-22(30-18-21-5-1-2-9-25-21)16-27(23)14-19-6-10-29-11-7-19/h1-5,8-9,12,19,22H,6-7,10-11,13-18H2/p+1/t22-/m0/s1