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

Systemtic Name: 4-methyl-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C14H21N3S/c1-16-9-11-17(12-10-16)14(18)15-8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,18)/p+1