6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol; 2,4,6-trinitro-3-oxidanyl-phenolate

Systemtic Name: 6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol; 2,4,6-trinitro-3-oxidanyl-phenolate Openeye Name: 3-hydroxy-2,4,6-trinitro-phenolate; 1-isobutyl-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol CAS Name: 3-hydroxy-2,4,6-trinitrophenolate; 6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol IUPAC Name: 3-hydroxy-2,4,6-trinitrophenolate; 6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol Traditional Name: 3-hydroxy-2,4,6-trinitro-phenolate; 1-isobutyl-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol Formula: C21H26N4O10 MolecularWeight: 494.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C2=CC(=C(C=C2CC[NH+]1C)OC)O.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1C2=CC(=C(C=C2CC[NH+]1C)OC)O.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H23NO2.C6H3N3O8/c1-10(2)7-13-12-9-14(17)15(18-4)8-11(12)5-6-16(13)3;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h8-10,13,17H,5-7H2,1-4H3;1,10-11H