(3,5-dinitrophenyl)methyl 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: (3,5-dinitrophenyl)methyl 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: (3,5-dinitrophenyl)methyl 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid (3,5-dinitrophenyl)methyl ester IUPAC Name: (3,5-dinitrophenyl)methyl 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid (3,5-dinitrobenzyl) ester Formula: C13H17N4O4S2+ MolecularWeight: 357.42848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S2/c1-14-2-4-15(5-3-14)13(22)23-9-10-6-11(16(18)19)8-12(7-10)17(20)21/h6-8H,2-5,9H2,1H3/p+1