N-[(2-fluorophenyl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-4-(3-thienylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(2-fluorobenzyl)-4-(3-thenyl)piperazin-4-ium-1-carboxamide Formula: C17H21FN3OS+ MolecularWeight: 334.431543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)NCC3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C17H20FN3OS/c18-16-4-2-1-3-15(16)11-19-17(22)21-8-6-20(7-9-21)12-14-5-10-23-13-14/h1-5,10,13H,6-9,11-12H2,(H,19,22)/p+1