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

Systemtic Name: 6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol; 2,4,6-trinitrophenolate Openeye Name: 1-isobutyl-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol; 2,4,6-trinitrophenolate CAS Name: 6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol; 2,4,6-trinitrophenolate IUPAC Name: 6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol; 2,4,6-trinitrophenolate Traditional Name: 1-isobutyl-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol picrate Formula: C21H26N4O9 MolecularWeight: 478.45254

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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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C15H23NO2.C6H3N3O7/c1-10(2)7-13-12-9-14(17)15(18-4)8-11(12)5-6-16(13)3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-10,13,17H,5-7H2,1-4H3;1-2,10H