dimethyl-(4-nitro-1-phenyl-tridecyl)azanium

Systemtic Name: dimethyl-(4-nitro-1-phenyl-tridecyl)azanium Openeye Name: dimethyl-(4-nitro-1-phenyl-tridecyl)ammonium CAS Name: dimethyl-(4-nitro-1-phenyltridecyl)ammonium IUPAC Name: dimethyl-(4-nitro-1-phenyltridecyl)azanium Traditional Name: dimethyl-(4-nitro-1-phenyl-tridecyl)ammonium Formula: C21H37N2O2+ MolecularWeight: 349.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC(C1=CC=CC=C1)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC(CCC(C1=CC=CC=C1)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H36N2O2/c1-4-5-6-7-8-9-13-16-20(23(24)25)17-18-21(22(2)3)19-14-11-10-12-15-19/h10-12,14-15,20-21H,4-9,13,16-18H2,1-3H3/p+1