dimethyl-(4-nitrophenyl)-(2-oxidanyl-3-phenoxy-propyl)azanium

Systemtic Name: dimethyl-(4-nitrophenyl)-(2-oxidanyl-3-phenoxy-propyl)azanium Openeye Name: (2-hydroxy-3-phenoxy-propyl)-dimethyl-(4-nitrophenyl)ammonium CAS Name: (2-hydroxy-3-phenoxypropyl)-dimethyl-(4-nitrophenyl)ammonium IUPAC Name: (2-hydroxy-3-phenoxypropyl)-dimethyl-(4-nitrophenyl)azanium Traditional Name: (2-hydroxy-3-phenoxy-propyl)-dimethyl-(4-nitrophenyl)ammonium Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(COC1=CC=CC=C1)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(CC(COC1=CC=CC=C1)O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N2O4/c1-19(2,15-10-8-14(9-11-15)18(21)22)12-16(20)13-23-17-6-4-3-5-7-17/h3-11,16,20H,12-13H2,1-2H3/q+1