3-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-N-(2-fluorophenyl)propanamide

Systemtic Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-N-(2-fluorophenyl)propanamide Openeye Name: 3-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-N-(2-fluorophenyl)propanamide CAS Name: 3-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-N-(2-fluorophenyl)propanamide IUPAC Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-N-(2-fluorophenyl)propanamide Traditional Name: 3-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-N-(2-fluorophenyl)propionamide Formula: C22H25FN3OS+ MolecularWeight: 398.516803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)CCC(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)CCC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C22H24FN3OS/c23-19-6-2-3-7-20(19)24-22(27)9-10-25-11-13-26(14-12-25)15-17-16-28-21-8-4-1-5-18(17)21/h1-8,16H,9-15H2,(H,24,27)/p+1