3-[(5-methyl-2-piperidin-1-ium-1-ylidene-1,3-dithiol-4-yl)sulfanyl]propanoate

Systemtic Name: 3-[(5-methyl-2-piperidin-1-ium-1-ylidene-1,3-dithiol-4-yl)sulfanyl]propanoate Openeye Name: 3-[(5-methyl-2-piperidin-1-ium-1-ylidene-1,3-dithiol-4-yl)sulfanyl]propanoate CAS Name: 3-[[5-methyl-2-(1-piperidin-1-iumylidene)-1,3-dithiol-4-yl]thio]propanoate IUPAC Name: 3-[(5-methyl-2-piperidin-1-ium-1-ylidene-1,3-dithiol-4-yl)sulfanyl]propanoate Traditional Name: 3-[(5-methyl-2-piperidin-1-ium-1-ylidene-1,3-dithiol-4-yl)thio]propionate Formula: C12H17NO2S3 MolecularWeight: 303.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[N+]2CCCCC2)S1)SCCC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=[N+]2CCCCC2)S1)SCCC(=O)[O-]

InChI

InChI=1S/C12H17NO2S3/c1-9-11(16-8-5-10(14)15)18-12(17-9)13-6-3-2-4-7-13/h2-8H2,1H3