(6R)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-6-(2-pyridylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-6-(2-pyridinylmethoxy)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-6-(2-pyridylmethoxy)-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-2-one Formula: C26H33N6O2+ MolecularWeight: 461.57922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)CC3=CC=CN3C4=NC=CC=N4)OCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=CC=CN3C4=NC=CC=N4)OCC5=CC=CC=N5

InChI

InChI=1S/C26H32N6O2/c33-25-19-30(16-23-11-6-15-31(23)26-28-13-7-14-29-26)17-24(34-20-21-8-4-5-12-27-21)18-32(25)22-9-2-1-3-10-22/h4-8,11-15,22,24H,1-3,9-10,16-20H2/p+1/t24-/m0/s1