2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(thian-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(thian-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-tetrahydrothiopyran-4-yl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(5-methyl-2-furanyl)methyl]-4-(4-thianyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(thian-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-tetrahydrothiopyran-4-yl-piperazin-1-ium-2-yl]ethanol Formula: C17H29N2O2S+ MolecularWeight: 325.48936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2CCO)C3CCSCC3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(C[C@@H]2CCO)C3CCSCC3

InChI

InChI=1S/C17H28N2O2S/c1-14-2-3-17(21-14)13-19-8-7-18(12-16(19)4-9-20)15-5-10-22-11-6-15/h2-3,15-16,20H,4-13H2,1H3/p+1/t16-/m0/s1