2-(2-hydroxyethyloxy)ethyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: 2-(2-hydroxyethyloxy)ethyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: 2-(2-hydroxyethoxy)ethyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: 2-(2-hydroxyethoxy)ethyl-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: 2-(2-hydroxyethoxy)ethyl-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: 2-(2-hydroxyethoxy)ethyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C13H21N2O4+ MolecularWeight: 269.31684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-10-3-4-12(9-13(10)15(17)18)11(2)14-5-7-19-8-6-16/h3-4,9,11,14,16H,5-8H2,1-2H3/p+1/t11-/m0/s1