2-[(2S)-4-[(2-cyclopentyloxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-cyclopentyloxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[2-(cyclopentoxy)phenyl]methyl]-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-cyclopentyloxyphenyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-cyclopentyloxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[2-(cyclopentoxy)benzyl]-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C23H33N2O2S+ MolecularWeight: 401.58532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC=C2CN3CC[NH+](C(C3)CCO)CC4=CSC=C4

Isomeric SMILES

C1CCC(C1)OC2=CC=CC=C2CN3CC[NH+]([C@H](C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C23H32N2O2S/c26-13-9-21-17-24(11-12-25(21)15-19-10-14-28-18-19)16-20-5-1-4-8-23(20)27-22-6-2-3-7-22/h1,4-5,8,10,14,18,21-22,26H,2-3,6-7,9,11-13,15-17H2/p+1/t21-/m0/s1