1-(diethylaminomethyl)-3-methyl-imidazol-3-ium-2-thiol

Systemtic Name: 1-(diethylaminomethyl)-3-methyl-imidazol-3-ium-2-thiol Openeye Name: 1-(diethylaminomethyl)-3-methyl-imidazol-3-ium-2-thiol CAS Name: 1-(diethylaminomethyl)-3-methyl-2-imidazol-3-iumthiol IUPAC Name: 1-(diethylaminomethyl)-3-methylimidazol-3-ium-2-thiol Traditional Name: 1-(diethylaminomethyl)-3-methyl-imidazol-3-ium-2-thiol Formula: C9H18N3S+ MolecularWeight: 200.32432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CN1C=C[N+](=C1S)C

Isomeric SMILES

CCN(CC)CN1C=C[N+](=C1S)C

InChI

InChI=1S/C9H17N3S/c1-4-11(5-2)8-12-7-6-10(3)9(12)13/h6-7H,4-5,8H2,1-3H3/p+1