methyl 4,4-dimethylpiperazin-4-ium-1-carboximidothioate iodide

Systemtic Name: methyl 4,4-dimethylpiperazin-4-ium-1-carboximidothioate iodide Openeye Name: methyl 4,4-dimethylpiperazin-4-ium-1-carboximidothioate iodide CAS Name: 4,4-dimethyl-1-piperazin-4-iumcarboximidothioic acid methyl ester iodide IUPAC Name: methyl 4,4-dimethylpiperazin-4-ium-1-carboximidothioate iodide Traditional Name: 4,4-dimethylpiperazin-4-ium-1-carboximidothioic acid methyl ester iodide Formula: C8H18IN3S MolecularWeight: 315.21809

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=N)SC)C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=N)SC)C.[I-]

InChI

InChI=1S/C8H18N3S.HI/c1-11(2)6-4-10(5-7-11)8(9)12-3;/h9H,4-7H2,1-3H3;1H/q+1;/p-1