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

Systemtic Name: (6R)-4-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-(3-methylbut-2-enyl)-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(3-methylbut-2-enyl)-1-(4-oxanylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-(3-methylbut-2-enyl)-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CC(CN(C(=O)C1)CC2CCOCC2)OCC3=CN=CC=C3)C

Isomeric SMILES

CC(=CC[NH+]1C[C@@H](CN(C(=O)C1)CC2CCOCC2)OCC3=CN=CC=C3)C

InChI

InChI=1S/C22H33N3O3/c1-18(2)5-9-24-14-21(28-17-20-4-3-8-23-12-20)15-25(22(26)16-24)13-19-6-10-27-11-7-19/h3-5,8,12,19,21H,6-7,9-11,13-17H2,1-2H3/p+1/t21-/m0/s1