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

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(thian-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-tetrahydrothiopyran-4-yl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(4-thianyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(thian-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-tetrahydrothiopyran-4-yl-piperazin-1-ium-2-yl]ethanol Formula: C18H35N2OS+ MolecularWeight: 327.5483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)C3CCSCC3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@@H]2CCO)C3CCSCC3

InChI

InChI=1S/C18H34N2OS/c21-11-6-18-15-20(17-7-12-22-13-8-17)10-9-19(18)14-16-4-2-1-3-5-16/h16-18,21H,1-15H2/p+1/t18-/m0/s1