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

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazole Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazole CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazole IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazole Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazole Formula: C12H16N3S+ MolecularWeight: 234.34054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C12H15N3S/c1-14-6-8-15(9-7-14)12-13-10-4-2-3-5-11(10)16-12/h2-5H,6-9H2,1H3/p+1