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

Systemtic Name: 2-[(2S)-4-[(3-cyclopentyloxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[3-(cyclopentoxy)phenyl]methyl]-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-cyclopentyloxyphenyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-cyclopentyloxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[3-(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(=C2)CN3CC[NH+](C(C3)CCO)CC4=CSC=C4

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)CN3CC[NH+]([C@H](C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C23H32N2O2S/c26-12-8-21-17-24(10-11-25(21)16-20-9-13-28-18-20)15-19-4-3-7-23(14-19)27-22-5-1-2-6-22/h3-4,7,9,13-14,18,21-22,26H,1-2,5-6,8,10-12,15-17H2/p+1/t21-/m0/s1