(6R)-1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-6-(3-pyridylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-6-(3-pyridinylmethoxy)-4-(5-quinoxalinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-6-(3-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=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=C4C(=CC=C3)N=CC=N4)OCC5=CN=CC=C5

InChI

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