methyl-[(2S)-3-(3-methyl-4-nitro-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: methyl-[(2S)-3-(3-methyl-4-nitro-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(3-methyl-4-nitro-phenoxy)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(3-methyl-4-nitrophenoxy)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(3-methyl-4-nitrophenoxy)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(3-methyl-4-nitro-phenoxy)propyl]-methyl-ammonium Formula: C11H17N2O4+ MolecularWeight: 241.26368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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