N-[(4-fluorophenyl)methyl]-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(2-phenoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3OS/c21-18-8-6-17(7-9-18)16-22-20(26)24-12-10-23(11-13-24)14-15-25-19-4-2-1-3-5-19/h1-9H,10-16H2,(H,22,26)/p+1