tert-butyl-[3-(4-cyclohexyl-2-nitro-phenoxy)-2-oxidanyl-propyl]azanium chloride

Systemtic Name: tert-butyl-[3-(4-cyclohexyl-2-nitro-phenoxy)-2-oxidanyl-propyl]azanium chloride Openeye Name: tert-butyl-[3-(4-cyclohexyl-2-nitro-phenoxy)-2-hydroxy-propyl]ammonium chloride CAS Name: tert-butyl-[3-(4-cyclohexyl-2-nitrophenoxy)-2-hydroxypropyl]ammonium chloride IUPAC Name: tert-butyl-[3-(4-cyclohexyl-2-nitrophenoxy)-2-hydroxypropyl]azanium chloride Traditional Name: tert-butyl-[3-(4-cyclohexyl-2-nitro-phenoxy)-2-hydroxy-propyl]ammonium chloride Formula: C19H31ClN2O4 MolecularWeight: 386.91344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(COC1=C(C=C(C=C1)C2CCCCC2)[N+](=O)[O-])O.[Cl-]

Isomeric SMILES

CC(C)(C)[NH2+]CC(COC1=C(C=C(C=C1)C2CCCCC2)[N+](=O)[O-])O.[Cl-]

InChI

InChI=1S/C19H30N2O4.ClH/c1-19(2,3)20-12-16(22)13-25-18-10-9-15(11-17(18)21(23)24)14-7-5-4-6-8-14;/h9-11,14,16,20,22H,4-8,12-13H2,1-3H3;1H