methyl 3-[(3S)-3-morpholin-4-ium-4-ylpiperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[(3S)-3-morpholin-4-ium-4-ylpiperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[(3S)-3-morpholin-4-ium-4-yl-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[(3S)-3-(4-morpholin-4-iumyl)-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-morpholin-4-ium-4-ylpiperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[(3S)-3-morpholin-4-ium-4-ylpiperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C15H23N2O5S2+ MolecularWeight: 375.48352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC(C2)[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC[C@@H](C2)[NH+]3CCOCC3

InChI

InChI=1S/C15H22N2O5S2/c1-21-15(18)14-13(4-10-23-14)24(19,20)17-5-2-3-12(11-17)16-6-8-22-9-7-16/h4,10,12H,2-3,5-9,11H2,1H3/p+1/t12-/m0/s1