7-bromanyl-3-piperazin-4-ium-1-yl-1,2-benzothiazole

Systemtic Name: 7-bromanyl-3-piperazin-4-ium-1-yl-1,2-benzothiazole Openeye Name: 7-bromo-3-piperazin-4-ium-1-yl-1,2-benzothiazole CAS Name: 7-bromo-3-(1-piperazin-4-iumyl)-1,2-benzothiazole IUPAC Name: 7-bromo-3-piperazin-4-ium-1-yl-1,2-benzothiazole Traditional Name: 7-bromo-3-piperazin-4-ium-1-yl-1,2-benzothiazole Formula: C11H13BrN3S+ MolecularWeight: 299.21002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NSC3=C2C=CC=C3Br

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NSC3=C2C=CC=C3Br

InChI

InChI=1S/C11H12BrN3S/c12-9-3-1-2-8-10(9)16-14-11(8)15-6-4-13-5-7-15/h1-3,13H,4-7H2/p+1