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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbothioamide Formula: C21H27FN3OS+ MolecularWeight: 388.521983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)F

InChI

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