(4-methylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanethione

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanethione Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanethione CAS Name: (4-methyl-1-piperazin-4-iumyl)-(4-nitrophenyl)methanethione IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanethione Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanethione Formula: C12H16N3O2S+ MolecularWeight: 266.33934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2S/c1-13-6-8-14(9-7-13)12(18)10-2-4-11(5-3-10)15(16)17/h2-5H,6-9H2,1H3/p+1