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

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

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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)F

Isomeric SMILES

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

InChI

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