2-azaniumylethyl-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]azanium

Systemtic Name: 2-azaniumylethyl-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]azanium Openeye Name: 2-azaniumylethyl-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]ammonium CAS Name: 2-ammonioethyl-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethyl]ammonium IUPAC Name: 2-azaniumylethyl-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethyl]azanium Traditional Name: 2-ammonioethyl-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]ammonium Formula: C13H23N3O4+2 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCOCC[NH2+]CC[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCOCC[NH2+]CC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C13H21N3O4/c1-11-2-3-13(12(10-11)16(17)18)20-9-8-19-7-6-15-5-4-14/h2-3,10,15H,4-9,14H2,1H3/p+2