2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(4-thianyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methyl-benzyl)-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol Formula: C20H33N2O2S+ MolecularWeight: 365.55322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)C3CCSCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)C3CCSCC3)OC

InChI

InChI=1S/C20H32N2O2S/c1-16-13-17(3-4-20(16)24-2)14-21-8-9-22(15-19(21)5-10-23)18-6-11-25-12-7-18/h3-4,13,18-19,23H,5-12,14-15H2,1-2H3/p+1/t19-/m0/s1