1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-ium-4-yl)pyrrolidin-2-one; 2,4,6-trinitrophenolate

Systemtic Name: 1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-ium-4-yl)pyrrolidin-2-one; 2,4,6-trinitrophenolate Openeye Name: 1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-ium-4-yl)pyrrolidin-2-one; 2,4,6-trinitrophenolate CAS Name: 1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-ium-4-yl)-2-pyrrolidinone; 2,4,6-trinitrophenolate IUPAC Name: 1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-ium-4-yl)pyrrolidin-2-one; 2,4,6-trinitrophenolate Traditional Name: 1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-ium-4-yl)-2-pyrrolidone picrate Formula: C20H21N5O8 MolecularWeight: 459.40944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC=CC=C2[NH2+]1)N3CCCC3=O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CC(C2=CC=CC=C2[NH2+]1)N3CCCC3=O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O.C6H3N3O7/c1-10-9-13(16-8-4-7-14(16)17)11-5-2-3-6-12(11)15-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-3,5-6,10,13,15H,4,7-9H2,1H3;1-2,10H