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

Systemtic Name: 2-[(2S)-1-phenethyl-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-phenethyl-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-phenethyl-4-(4-thianyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-phenethyl-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-phenethyl-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol Formula: C19H31N2OS+ MolecularWeight: 335.52724

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1[NH+]2CCN(C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

C1CSCCC1[NH+]2CCN([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C19H30N2OS/c22-13-7-19-16-21(18-8-14-23-15-9-18)12-11-20(19)10-6-17-4-2-1-3-5-17/h1-5,18-19,22H,6-16H2/p+1/t19-/m0/s1