(3,5-dinitrophenyl)-dimethyl-pentan-3-yl-azanium

Systemtic Name: (3,5-dinitrophenyl)-dimethyl-pentan-3-yl-azanium Openeye Name: (3,5-dinitrophenyl)-(1-ethylpropyl)-dimethyl-ammonium CAS Name: (3,5-dinitrophenyl)-dimethyl-pentan-3-ylammonium IUPAC Name: (3,5-dinitrophenyl)-dimethyl-pentan-3-ylazanium Traditional Name: (3,5-dinitrophenyl)-(1-ethylpropyl)-dimethyl-ammonium Formula: C13H20N3O4+ MolecularWeight: 282.3156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N3O4/c1-5-12(6-2)16(3,4)13-8-10(14(17)18)7-11(9-13)15(19)20/h7-9,12H,5-6H2,1-4H3/q+1