(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-chloro-6-fluoro-benzothiophen-2-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-chloro-6-fluoro-benzothiophen-2-yl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C18H17ClFN2OS2+ MolecularWeight: 395.921783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C18H16ClFN2OS2/c19-16-14-2-1-13(20)9-15(14)25-17(16)18(23)22-6-4-21(5-7-22)10-12-3-8-24-11-12/h1-3,8-9,11H,4-7,10H2/p+1