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

Systemtic Name: (6R)-1-cyclohexyl-4-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-isobutyl-6-(3-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-(2-methylpropyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-isobutyl-6-(3-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CC(CN(C(=O)C1)C2CCCCC2)OCC3=CN=CC=C3

Isomeric SMILES

CC(C)C[NH+]1C[C@@H](CN(C(=O)C1)C2CCCCC2)OCC3=CN=CC=C3

InChI

InChI=1S/C21H33N3O2/c1-17(2)12-23-13-20(26-16-18-7-6-10-22-11-18)14-24(21(25)15-23)19-8-4-3-5-9-19/h6-7,10-11,17,19-20H,3-5,8-9,12-16H2,1-2H3/p+1/t20-/m0/s1