2-(piperazine-1,4-diium-1-ylmethyl)-1,3-benzothiazole

Systemtic Name: 2-(piperazine-1,4-diium-1-ylmethyl)-1,3-benzothiazole Openeye Name: 2-(piperazine-1,4-diium-1-ylmethyl)-1,3-benzothiazole CAS Name: 2-(1-piperazine-1,4-diiumylmethyl)-1,3-benzothiazole IUPAC Name: 2-(piperazine-1,4-diium-1-ylmethyl)-1,3-benzothiazole Traditional Name: 2-(piperazine-1,4-diium-1-ylmethyl)-1,3-benzothiazole Formula: C12H17N3S+2 MolecularWeight: 235.34848

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C12H15N3S/c1-2-4-11-10(3-1)14-12(16-11)9-15-7-5-13-6-8-15/h1-4,13H,5-9H2/p+2