(6R)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-6-(2-pyridylmethoxy)-4-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-6-(2-pyridinylmethoxy)-4-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-6-(2-pyridylmethoxy)-4-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)CC3=CN=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=CN=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C23H30N4O2/c28-23-17-26(14-19-7-6-11-24-13-19)15-22(29-18-20-8-4-5-12-25-20)16-27(23)21-9-2-1-3-10-21/h4-8,11-13,21-22H,1-3,9-10,14-18H2/p+1/t22-/m0/s1