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

Systemtic Name: 2-azaniumylethyl-[4-(4-methyl-2-nitro-phenoxy)butyl]azanium Openeye Name: 2-azaniumylethyl-[4-(4-methyl-2-nitro-phenoxy)butyl]ammonium CAS Name: 2-ammonioethyl-[4-(4-methyl-2-nitrophenoxy)butyl]ammonium IUPAC Name: 2-azaniumylethyl-[4-(4-methyl-2-nitrophenoxy)butyl]azanium Traditional Name: 2-ammonioethyl-[4-(4-methyl-2-nitro-phenoxy)butyl]ammonium Formula: C13H23N3O3+2 MolecularWeight: 269.34002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O3/c1-11-4-5-13(12(10-11)16(17)18)19-9-3-2-7-15-8-6-14/h4-5,10,15H,2-3,6-9,14H2,1H3/p+2