2-[(2S)-1-(3-phenylpropyl)-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-(4-thianyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-(thian-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-tetrahydrothiopyran-4-yl-piperazin-4-ium-2-yl]ethanol Formula: C20H33N2OS+ MolecularWeight: 349.55382

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1[NH+]2CCN(C(C2)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

C1CSCCC1[NH+]2CCN([C@H](C2)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H32N2OS/c23-14-8-20-17-22(19-9-15-24-16-10-19)13-12-21(20)11-4-7-18-5-2-1-3-6-18/h1-3,5-6,19-20,23H,4,7-17H2/p+1/t20-/m0/s1