(6R)-1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-6-(3-pyridylmethoxy)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-6-(3-pyridinylmethoxy)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-6-(3-pyridylmethoxy)-4-[[1-(3-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=CN=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=CC=CN3C4=CN=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C27H33N5O2/c33-27-20-30(17-25-11-6-14-31(25)24-10-5-13-29-16-24)18-26(34-21-22-7-4-12-28-15-22)19-32(27)23-8-2-1-3-9-23/h4-7,10-16,23,26H,1-3,8-9,17-21H2/p+1/t26-/m0/s1