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

Systemtic Name: N-(2-fluorophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-fluorophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-fluorophenyl)-4-(2-phenoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-fluorophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-fluorophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C19H23FN3OS+ MolecularWeight: 360.468823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C19H22FN3OS/c20-17-8-4-5-9-18(17)21-19(25)23-12-10-22(11-13-23)14-15-24-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,25)/p+1