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

Systemtic Name: tert-butyl-[(2S)-3-(4-cyclohexyl-2-nitro-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[(2S)-3-(4-cyclohexyl-2-nitro-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: tert-butyl-[(2S)-3-(4-cyclohexyl-2-nitrophenoxy)-2-hydroxypropyl]ammonium IUPAC Name: tert-butyl-[(2S)-3-(4-cyclohexyl-2-nitrophenoxy)-2-hydroxypropyl]azanium Traditional Name: tert-butyl-[(2S)-3-(4-cyclohexyl-2-nitro-phenoxy)-2-hydroxy-propyl]ammonium Formula: C19H31N2O4+ MolecularWeight: 351.46044

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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

Isomeric SMILES

CC(C)(C)[NH2+]C[C@@H](COC1=C(C=C(C=C1)C2CCCCC2)[N+](=O)[O-])O

InChI

InChI=1S/C19H30N2O4/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/p+1/t16-/m0/s1