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

Systemtic Name: 3-(5-methyl-2-nitro-phenoxy)propyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[3-(5-methyl-2-nitro-phenoxy)propyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[3-(5-methyl-2-nitrophenoxy)propyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[3-(5-methyl-2-nitrophenoxy)propyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[3-(5-methyl-2-nitro-phenoxy)propyl]ammonium Formula: C13H21N2O4+ MolecularWeight: 269.31684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-10-4-5-12(15(17)18)13(8-10)19-7-3-6-14-9-11(2)16/h4-5,8,11,14,16H,3,6-7,9H2,1-2H3/p+1/t11-/m0/s1