(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-cyclohexyl-3-oxidanyl-propanoate; sulfuric acid; hydrate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-cyclohexyl-3-oxidanyl-propanoate; sulfuric acid; hydrate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-cyclohexyl-3-hydroxy-propanoate; sulfuric acid; hydrate CAS Name: 2-cyclohexyl-3-hydroxypropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester; sulfuric acid; hydrate IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-cyclohexyl-3-hydroxypropanoate; sulfuric acid; hydrate Traditional Name: 2-cyclohexyl-3-hydroxy-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester; sulfuric acid; hydrate Formula: C34H62N2O11S MolecularWeight: 706.92788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)OC(=O)C(CO)C3CCCCC3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3CCCCC3.O.OS(=O)(=O)O

Isomeric SMILES

CN1C2CCC1CC(C2)OC(=O)C(CO)C3CCCCC3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3CCCCC3.O.OS(=O)(=O)O

InChI

InChI=1S/2C17H29NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*12-16,19H,2-11H2,1H3;(H2,1,2,3,4);1H2