1,3-benzothiazol-6-yl-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]methanone Formula: C17H17ClN3OS2+ MolecularWeight: 378.91938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C17H16ClN3OS2/c18-16-4-2-13(24-16)10-20-5-7-21(8-6-20)17(22)12-1-3-14-15(9-12)23-11-19-14/h1-4,9,11H,5-8,10H2/p+1