4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-fluoro-2-methoxy-phenyl)methyl]-N-(m-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(3-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(5-fluoro-2-methoxy-benzyl)-N-(m-tolyl)piperazin-4-ium-1-carbothioamide Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C20H24FN3OS/c1-15-4-3-5-18(12-15)22-20(26)24-10-8-23(9-11-24)14-16-13-17(21)6-7-19(16)25-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,26)/p+1