5-(2-methylsulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-4-yl)pentanoic acid

Systemtic Name: 5-(2-methylsulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-4-yl)pentanoic acid Openeye Name: 5-(2-methylsulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-4-yl)pentanoic acid CAS Name: 5-[2-(methylthio)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-4-yl]pentanoic acid IUPAC Name: 5-(2-methylsulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-4-yl)pentanoic acid Traditional Name: 5-[2-(methylthio)-3a,4,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-3-ium-4-yl]valeric acid Formula: C11H19N2O2S2+ MolecularWeight: 275.41076

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[NH+]C2C(N1)CSC2CCCCC(=O)O

Isomeric SMILES

CSC1=[NH+]C2C(N1)CSC2CCCCC(=O)O

InChI

InChI=1S/C11H18N2O2S2/c1-16-11-12-7-6-17-8(10(7)13-11)4-2-3-5-9(14)15/h7-8,10H,2-6H2,1H3,(H,12,13)(H,14,15)/p+1