[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: [(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C17H29N2O4+ MolecularWeight: 325.42316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O4/c1-16(2,3)12-17(4,5)18-10-14(20)11-23-15-8-6-13(7-9-15)19(21)22/h6-9,14,18,20H,10-12H2,1-5H3/p+1/t14-/m1/s1