4-azanyl-1-methyl-thian-1-ium-3-one chloride hydrochloride

Systemtic Name: 4-azanyl-1-methyl-thian-1-ium-3-one chloride hydrochloride Openeye Name: 4-amino-1-methyl-tetrahydrothiopyran-1-ium-3-one chloride hydrochloride CAS Name: 4-amino-1-methyl-3-thian-1-iumone chloride hydrochloride IUPAC Name: 4-amino-1-methylthian-1-ium-3-one chloride hydrochloride Traditional Name: 4-amino-1-methyl-tetrahydrothiopyran-1-ium-3-one chloride hydrochloride Formula: C6H13Cl2NOS MolecularWeight: 218.14452

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Descriptors Computed from Structure

Canonical SMILES:

C[S+]1CCC(C(=O)C1)N.Cl.[Cl-]

Isomeric SMILES

C[S+]1CCC(C(=O)C1)N.Cl.[Cl-]

InChI

InChI=1S/C6H12NOS.2ClH/c1-9-3-2-5(7)6(8)4-9;;/h5H,2-4,7H2,1H3;2*1H/q+1;;/p-1