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

Systemtic Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(4-thianyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-2,3-dimethyl-benzyl)-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol Formula: C21H35N2O2S+ MolecularWeight: 379.5798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](CC2CCO)C3CCSCC3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](C[C@@H]2CCO)C3CCSCC3

InChI

InChI=1S/C21H34N2O2S/c1-16-17(2)21(25-3)5-4-18(16)14-22-9-10-23(15-20(22)6-11-24)19-7-12-26-13-8-19/h4-5,19-20,24H,6-15H2,1-3H3/p+1/t20-/m0/s1