7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol; 2,4,6-trinitrophenolate

Systemtic Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol; 2,4,6-trinitrophenolate Openeye Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol; 2,4,6-trinitrophenolate CAS Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol; 2,4,6-trinitrophenolate IUPAC Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol; 2,4,6-trinitrophenolate Traditional Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol picrate Formula: C16H16N4O9 MolecularWeight: 408.31964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CC[NH2+]C2)C=C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=C(CC[NH2+]C2)C=C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H13NO2.C6H3N3O7/c1-13-9-3-2-7-4-5-11-6-8(7)10(9)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-3,11-12H,4-6H2,1H3;1-2,10H