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

Systemtic Name: (6R)-1-phenethyl-4-propyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-phenethyl-4-propyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-phenethyl-4-propyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-phenethyl-4-propyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-phenethyl-4-propyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC(CN(C(=O)C1)CCC2=CC=CC=C2)OCC3=CC=NC=C3

Isomeric SMILES

CCC[NH+]1C[C@@H](CN(C(=O)C1)CCC2=CC=CC=C2)OCC3=CC=NC=C3

InChI

InChI=1S/C22H29N3O2/c1-2-13-24-15-21(27-18-20-8-11-23-12-9-20)16-25(22(26)17-24)14-10-19-6-4-3-5-7-19/h3-9,11-12,21H,2,10,13-18H2,1H3/p+1/t21-/m0/s1