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

Systemtic Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]thiophene-2-carboxamide Formula: C22H23FN3OS+ MolecularWeight: 396.500923

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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=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H22FN3OS/c23-18-5-3-17(4-6-18)16-25-11-13-26(14-12-25)20-9-7-19(8-10-20)24-22(27)21-2-1-15-28-21/h1-10,15H,11-14,16H2,(H,24,27)/p+1