N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]thian-4-amine

Systemtic Name: N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]thian-4-amine Openeye Name: N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]tetrahydrothiopyran-4-amine CAS Name: N-methyl-N-[[(2S)-1-methyl-2-pyrrolidin-1-iumyl]methyl]-4-thianamine IUPAC Name: N-methyl-N-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]thian-4-amine Traditional Name: methyl-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-tetrahydrothiopyran-4-yl-amine Formula: C12H25N2S+ MolecularWeight: 229.4053

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CN(C)C2CCSCC2

Isomeric SMILES

C[NH+]1CCC[C@H]1CN(C)C2CCSCC2

InChI

InChI=1S/C12H24N2S/c1-13-7-3-4-12(13)10-14(2)11-5-8-15-9-6-11/h11-12H,3-10H2,1-2H3/p+1/t12-/m0/s1