[(2S)-6-methylheptan-2-yl]-[(2R)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(2R)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]ammonium CAS Name: [(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: [(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]ammonium Formula: C17H29N2O4+ MolecularWeight: 325.42316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O4/c1-13(2)6-4-7-14(3)18-11-16(20)12-23-17-9-5-8-15(10-17)19(21)22/h5,8-10,13-14,16,18,20H,4,6-7,11-12H2,1-3H3/p+1/t14-,16+/m0/s1