3-chloranyl-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]benzothiophene-2-carboxamide Formula: C26H24ClFN3OS+ MolecularWeight: 481.004663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C26H23ClFN3OS/c27-24-22-3-1-2-4-23(22)33-25(24)26(32)29-20-9-11-21(12-10-20)31-15-13-30(14-16-31)17-18-5-7-19(28)8-6-18/h1-12H,13-17H2,(H,29,32)/p+1