2-[1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]imidazol-2-yl]thio]acetate Formula: C14H23N3O2S MolecularWeight: 297.41632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCN2C=CN=C2SCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCN2C=CN=C2SCC(=O)[O-]

InChI

InChI=1S/C14H23N3O2S/c1-12-5-2-3-7-16(12)8-4-9-17-10-6-15-14(17)20-11-13(18)19/h6,10,12H,2-5,7-9,11H2,1H3,(H,18,19)/t12-/m0/s1