2-(4-methylpiperazin-4-ium-1-yl)-6-nitro-1,3-benzothiazole

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-nitro-1,3-benzothiazole Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-nitro-1,3-benzothiazole CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-nitro-1,3-benzothiazole IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-nitro-1,3-benzothiazole Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-nitro-1,3-benzothiazole Formula: C12H15N4O2S+ MolecularWeight: 279.3381

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O2S/c1-14-4-6-15(7-5-14)12-13-10-3-2-9(16(17)18)8-11(10)19-12/h2-3,8H,4-7H2,1H3/p+1