1,6-dimethyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1,6-dimethyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1,6-dimethyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1,6-dimethyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1,6-dimethyl-1,2,3,4-tetrahydroquinolin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1,6-dimethyl-1,2,3,4-tetrahydroquinolin-1-ium picrate Formula: C17H18N4O7 MolecularWeight: 390.34742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+](CCC2)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+](CCC2)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15N.C6H3N3O7/c1-9-5-6-11-10(8-9)4-3-7-12(11)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-6,8H,3-4,7H2,1-2H3;1-2,10H