methyl-[(2S)-3-(5-methyl-2-nitro-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: methyl-[(2S)-3-(5-methyl-2-nitro-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(5-methyl-2-nitro-phenoxy)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(5-methyl-2-nitrophenoxy)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(5-methyl-2-nitrophenoxy)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(5-methyl-2-nitro-phenoxy)propyl]-methyl-ammonium Formula: C11H17N2O4+ MolecularWeight: 241.26368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(C[NH2+]C)O

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OC[C@H](C[NH2+]C)O

InChI

InChI=1S/C11H16N2O4/c1-8-3-4-10(13(15)16)11(5-8)17-7-9(14)6-12-2/h3-5,9,12,14H,6-7H2,1-2H3/p+1/t9-/m0/s1