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

Systemtic Name: (6R)-1-(oxan-4-ylmethyl)-4-propan-2-yl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-isopropyl-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-(4-oxanylmethyl)-4-propan-2-yl-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-(oxan-4-ylmethyl)-4-propan-2-yl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-isopropyl-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(CN(C(=O)C1)CC2CCOCC2)OCC3=CC=CC=N3

Isomeric SMILES

CC(C)[NH+]1C[C@@H](CN(C(=O)C1)CC2CCOCC2)OCC3=CC=CC=N3

InChI

InChI=1S/C20H31N3O3/c1-16(2)22-12-19(26-15-18-5-3-4-8-21-18)13-23(20(24)14-22)11-17-6-9-25-10-7-17/h3-5,8,16-17,19H,6-7,9-15H2,1-2H3/p+1/t19-/m0/s1