6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; 2,4,6-trinitrophenolate

Systemtic Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; 2,4,6-trinitrophenolate Openeye Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; 2,4,6-trinitrophenolate CAS Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; 2,4,6-trinitrophenolate IUPAC Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; 2,4,6-trinitrophenolate Traditional Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium picrate Formula: C17H18N4O9 MolecularWeight: 422.34622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH2+]CCC2=C1)OC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C[NH2+]CCC2=C1)OC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15NO2.C6H3N3O7/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-6,12H,3-4,7H2,1-2H3;1-2,10H