(6R)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-6-(2-pyridylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-6-(2-pyridinylmethoxy)-4-(5-quinoxalinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-6-(2-pyridylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)CC3=C4C(=CC=C3)N=CC=N4)OCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=C4C(=CC=C3)N=CC=N4)OCC5=CC=CC=N5

InChI

InChI=1S/C26H31N5O2/c32-25-18-30(15-20-7-6-11-24-26(20)29-14-13-28-24)16-23(33-19-21-8-4-5-12-27-21)17-31(25)22-9-2-1-3-10-22/h4-8,11-14,22-23H,1-3,9-10,15-19H2/p+1/t23-/m0/s1