N-(2,3-dimethylphenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-(2-fluorobenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H25FN3S+ MolecularWeight: 358.496003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3F)C

InChI

InChI=1S/C20H24FN3S/c1-15-6-5-9-19(16(15)2)22-20(25)24-12-10-23(11-13-24)14-17-7-3-4-8-18(17)21/h3-9H,10-14H2,1-2H3,(H,22,25)/p+1