2,4-dinitrophenolate; triethyl-(phenylmethyl)azanium

Systemtic Name: 2,4-dinitrophenolate; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; 2,4-dinitrophenolate CAS Name: 2,4-dinitrophenolate; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; 2,4-dinitrophenolate Traditional Name: benzyl(triethyl)ammonium; 2,4-dinitrophenolate Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=CC=C1.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H22N.C6H4N2O5/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h7-11H,4-6,12H2,1-3H3;1-3,9H/q+1;/p-1