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

Systemtic Name: (6R)-1-cyclohexyl-4-(3-methylbut-2-enyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-(3-methylbut-2-enyl)-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-(3-methylbut-2-enyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-(3-methylbut-2-enyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-(3-methylbut-2-enyl)-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CC(CN(C(=O)C1)C2CCCCC2)OCC3=CC=CC=N3)C

Isomeric SMILES

CC(=CC[NH+]1C[C@@H](CN(C(=O)C1)C2CCCCC2)OCC3=CC=CC=N3)C

InChI

InChI=1S/C22H33N3O2/c1-18(2)11-13-24-14-21(27-17-19-8-6-7-12-23-19)15-25(22(26)16-24)20-9-4-3-5-10-20/h6-8,11-12,20-21H,3-5,9-10,13-17H2,1-2H3/p+1/t21-/m0/s1