2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-1,3-benzothiazole IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Formula: C16H17BrN3S2+ MolecularWeight: 395.36028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H16BrN3S2/c17-15-6-5-12(21-15)11-19-7-9-20(10-8-19)16-18-13-3-1-2-4-14(13)22-16/h1-6H,7-11H2/p+1