2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(4-thianyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3,5-dimethoxybenzyl)-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol Formula: C20H33N2O3S+ MolecularWeight: 381.55262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](CC2CCO)C3CCSCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)C3CCSCC3)OC

InChI

InChI=1S/C20H32N2O3S/c1-24-19-11-16(12-20(13-19)25-2)14-21-6-7-22(15-18(21)3-8-23)17-4-9-26-10-5-17/h11-13,17-18,23H,3-10,14-15H2,1-2H3/p+1/t18-/m0/s1