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

Systemtic Name: (3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-chloro-4-fluoro-benzothiophen-2-yl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-4-fluoro-1-benzothiophen-2-yl)-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-4-fluoro-1-benzothiophen-2-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-chloro-4-fluoro-benzothiophen-2-yl)-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C18H17ClFN2O2S+ MolecularWeight: 379.856183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=C(C4=C(C=CC=C4S3)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=C(C4=C(C=CC=C4S3)F)Cl

InChI

InChI=1S/C18H16ClFN2O2S/c19-16-15-13(20)4-1-5-14(15)25-17(16)18(23)22-8-6-21(7-9-22)11-12-3-2-10-24-12/h1-5,10H,6-9,11H2/p+1