1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-carbothioamide

Systemtic Name: 1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-carbothioamide Openeye Name: 1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-carbothioamide CAS Name: 1-methyl-4-(4-nitrophenyl)-1-piperazin-1-iumcarbothioamide IUPAC Name: 1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-carbothioamide Traditional Name: 1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-carbothioamide Formula: C12H17N4O2S+ MolecularWeight: 281.35398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2S/c1-16(12(13)19)8-6-14(7-9-16)10-2-4-11(5-3-10)15(17)18/h2-5H,6-9H2,1H3,(H-,13,19)/p+1