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

Systemtic Name: (6R)-1-(2-methylpropyl)-4-propyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-isobutyl-4-propyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-(2-methylpropyl)-4-propyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-(2-methylpropyl)-4-propyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-isobutyl-4-propyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC(CN(C(=O)C1)CC(C)C)OCC2=CC=NC=C2

Isomeric SMILES

CCC[NH+]1C[C@@H](CN(C(=O)C1)CC(C)C)OCC2=CC=NC=C2

InChI

InChI=1S/C18H29N3O2/c1-4-9-20-11-17(23-14-16-5-7-19-8-6-16)12-21(10-15(2)3)18(22)13-20/h5-8,15,17H,4,9-14H2,1-3H3/p+1/t17-/m0/s1