N-(1-benzothiophen-2-yl)-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1-benzothiophen-2-yl)-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(benzothiophen-2-yl)-4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(1-benzothiophen-2-yl)-4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1-benzothiophen-2-yl)-4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(benzothiophen-2-yl)-4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-carboxamide Formula: C20H20ClFN3OS+ MolecularWeight: 404.908703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)NC3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)NC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C20H19ClFN3OS/c21-16-5-3-6-17(22)15(16)13-24-8-10-25(11-9-24)20(26)23-19-12-14-4-1-2-7-18(14)27-19/h1-7,12H,8-11,13H2,(H,23,26)/p+1