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

Systemtic Name: [(2S)-3-(4-chloranyl-2-nitro-phenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(4-chloro-2-nitro-phenoxy)-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-(4-chloro-2-nitrophenoxy)-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-(4-chloro-2-nitrophenoxy)-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-(4-chloro-2-nitro-phenoxy)-2-hydroxy-propyl]-methyl-ammonium Formula: C10H14ClN2O4+ MolecularWeight: 261.68216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClN2O4/c1-12-5-8(14)6-17-10-3-2-7(11)4-9(10)13(15)16/h2-4,8,12,14H,5-6H2,1H3/p+1/t8-/m0/s1