4-methyl-4-[2-(1-methylazocan-1-ium-1-yl)ethyl]morpholin-4-ium; 2,4,6-trinitrophenol

Systemtic Name: 4-methyl-4-[2-(1-methylazocan-1-ium-1-yl)ethyl]morpholin-4-ium; 2,4,6-trinitrophenol Openeye Name: 4-methyl-4-[2-(1-methylazocan-1-ium-1-yl)ethyl]morpholin-4-ium; picric acid CAS Name: 4-methyl-4-[2-(1-methyl-1-azocan-1-iumyl)ethyl]morpholin-4-ium; 2,4,6-trinitrophenol IUPAC Name: 4-methyl-4-[2-(1-methylazocan-1-ium-1-yl)ethyl]morpholin-4-ium; 2,4,6-trinitrophenol Traditional Name: 4-methyl-4-[2-(1-methylazocan-1-ium-1-yl)ethyl]morpholin-4-ium; picric acid Formula: C21H35N5O8+2 MolecularWeight: 485.5313

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCCC1)CC[N+]2(CCOCC2)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCCCCCC1)CC[N+]2(CCOCC2)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H32N2O.C6H3N3O7/c1-16(8-6-4-3-5-7-9-16)10-11-17(2)12-14-18-15-13-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-15H2,1-2H3;1-2,10H/q+2;