2-[(2S)-4-(thian-4-yl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(thian-4-yl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-tetrahydrothiopyran-4-yl-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(4-thianyl)-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(thian-4-yl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-tetrahydrothiopyran-4-yl-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C16H27N2OS2+ MolecularWeight: 327.52838

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1[NH+]2CCN(C(C2)CCO)CC3=CC=CS3

Isomeric SMILES

C1CSCCC1[NH+]2CCN([C@H](C2)CCO)CC3=CC=CS3

InChI

InChI=1S/C16H26N2OS2/c19-8-3-15-12-17(14-4-10-20-11-5-14)6-7-18(15)13-16-2-1-9-21-16/h1-2,9,14-15,19H,3-8,10-13H2/p+1/t15-/m0/s1