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

Systemtic Name: (6R)-1-cyclohexyl-6-(pyridin-4-ylmethoxy)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-6-(4-pyridylmethoxy)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-6-(pyridin-4-ylmethoxy)-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-6-(pyridin-4-ylmethoxy)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-6-(4-pyridylmethoxy)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-2-one Formula: C27H34N5O2+ MolecularWeight: 460.59116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)CC3=CC=CN3C4=CC=CC=N4)OCC5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=CC=CN3C4=CC=CC=N4)OCC5=CC=NC=C5

InChI

InChI=1S/C27H33N5O2/c33-27-20-30(17-24-9-6-16-31(24)26-10-4-5-13-29-26)18-25(34-21-22-11-14-28-15-12-22)19-32(27)23-7-2-1-3-8-23/h4-6,9-16,23,25H,1-3,7-8,17-21H2/p+1/t25-/m0/s1