[3-(4-methoxy-3-nitro-phenyl)-1-octoxy-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [3-(4-methoxy-3-nitro-phenyl)-1-octoxy-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [1-[(4-methoxy-3-nitro-phenyl)methyl]-2-octoxy-2-oxo-ethyl]ammonium CAS Name: [3-(4-methoxy-3-nitrophenyl)-1-octoxy-1-oxopropan-2-yl]ammonium IUPAC Name: [3-(4-methoxy-3-nitrophenyl)-1-octoxy-1-oxopropan-2-yl]azanium Traditional Name: [2-keto-1-(4-methoxy-3-nitro-benzyl)-2-octoxy-ethyl]ammonium Formula: C18H29N2O5+ MolecularWeight: 353.43326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])[NH3+]

Isomeric SMILES

CCCCCCCCOC(=O)C(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C18H28N2O5/c1-3-4-5-6-7-8-11-25-18(21)15(19)12-14-9-10-17(24-2)16(13-14)20(22)23/h9-10,13,15H,3-8,11-12,19H2,1-2H3/p+1