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

Systemtic Name: N-(2-ethylphenyl)-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-ethylphenyl)-4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(2-ethylphenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-ethylphenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-ethylphenyl)-4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbothioamide Formula: C21H27FN3OS+ MolecularWeight: 388.521983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H26FN3OS/c1-3-17-6-4-5-7-19(17)23-21(27)25-12-10-24(11-13-25)15-16-8-9-20(26-2)18(22)14-16/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,27)/p+1