6-chloranyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole

Systemtic Name: 6-chloranyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole Openeye Name: 6-chloro-2-piperazin-4-ium-1-yl-1,3-benzothiazole CAS Name: 6-chloro-2-(1-piperazin-4-iumyl)-1,3-benzothiazole IUPAC Name: 6-chloro-2-piperazin-4-ium-1-yl-1,3-benzothiazole Traditional Name: 6-chloro-2-piperazin-4-ium-1-yl-1,3-benzothiazole Formula: C11H13ClN3S+ MolecularWeight: 254.75902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C11H12ClN3S/c12-8-1-2-9-10(7-8)16-11(14-9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2/p+1