1-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-ium picrate Formula: C22H20N4O7 MolecularWeight: 452.4168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C2=CC=CC=C21)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(C2=CC=CC=C21)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N.C6H3N3O7/c1-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-10,14H,11-12H2,1H3;1-2,10H