(6R)-1-cyclohexyl-4-(2,3-dihydro-1H-inden-2-yl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-(2,3-dihydro-1H-inden-2-yl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-indan-2-yl-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-(2,3-dihydro-1H-inden-2-yl)-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-(2,3-dihydro-1H-inden-2-yl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-indan-2-yl-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)C3CC4=CC=CC=C4C3)OCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)C3CC4=CC=CC=C4C3)OCC5=CC=CC=N5

InChI

InChI=1S/C26H33N3O2/c30-26-18-28(24-14-20-8-4-5-9-21(20)15-24)16-25(31-19-22-10-6-7-13-27-22)17-29(26)23-11-2-1-3-12-23/h4-10,13,23-25H,1-3,11-12,14-19H2/p+1/t25-/m0/s1