N-(4-bromophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-bromophenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C12H17BrN3S+ MolecularWeight: 315.25248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H16BrN3S/c1-15-6-8-16(9-7-15)12(17)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,17)/p+1