trimethyl(3-phenylbutan-2-yl)azanium; 2,4,6-trinitrophenolate

Systemtic Name: trimethyl(3-phenylbutan-2-yl)azanium; 2,4,6-trinitrophenolate Openeye Name: trimethyl-(1-methyl-2-phenyl-propyl)ammonium; 2,4,6-trinitrophenolate CAS Name: trimethyl(3-phenylbutan-2-yl)ammonium; 2,4,6-trinitrophenolate IUPAC Name: trimethyl(3-phenylbutan-2-yl)azanium; 2,4,6-trinitrophenolate Traditional Name: trimethyl-(1-methyl-2-phenyl-propyl)ammonium picrate Formula: C19H24N4O7 MolecularWeight: 420.41646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N.C6H3N3O7/c1-11(12(2)14(3,4)5)13-9-7-6-8-10-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-12H,1-5H3;1-2,10H/q+1;/p-1