bis(2-methylpropyl)-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: bis(2-methylpropyl)-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-diisobutyl-ammonium CAS Name: [(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-bis(2-methylpropyl)azanium Traditional Name: [(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-diisobutyl-ammonium Formula: C17H29N2O4+ MolecularWeight: 325.42316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O4/c1-13(2)9-18(10-14(3)4)11-16(20)12-23-17-7-5-15(6-8-17)19(21)22/h5-8,13-14,16,20H,9-12H2,1-4H3/p+1/t16-/m1/s1