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

Systemtic Name: (6R)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-6-(2-pyridylmethoxy)-4-(thiazol-2-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-6-(2-pyridinylmethoxy)-4-(2-thiazolylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-6-(2-pyridylmethoxy)-4-(thiazol-2-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)CC3=NC=CS3)OCC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=NC=CS3)OCC4=CC=CC=N4

InChI

InChI=1S/C21H28N4O2S/c26-21-15-24(14-20-23-10-11-28-20)12-19(27-16-17-6-4-5-9-22-17)13-25(21)18-7-2-1-3-8-18/h4-6,9-11,18-19H,1-3,7-8,12-16H2/p+1/t19-/m0/s1