4-methyl-N-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C12H18N3S+ MolecularWeight: 236.35642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3S/c1-14-7-9-15(10-8-14)12(16)13-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,16)/p+1