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

Systemtic Name: (6R)-1-cyclohexyl-6-oxidanyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-6-hydroxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-6-hydroxy-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-6-hydroxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-6-hydroxy-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-2-one Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2/c26-18-13-23(15-19(27)25(14-18)16-6-2-1-3-7-16)12-17-8-4-11-24(17)20-21-9-5-10-22-20/h4-5,8-11,16,18,26H,1-3,6-7,12-15H2/p+1/t18-/m0/s1