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

Systemtic Name: 2-[(2S)-4-[(3-cyclopentyloxyphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[3-(cyclopentoxy)phenyl]methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-cyclopentyloxyphenyl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-cyclopentyloxyphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[3-(cyclopentoxy)benzyl]-1-(2-thenyl)piperazin-4-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)C[NH+]3CCN(C(C3)CCO)CC4=CC=CS4

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)C[NH+]3CCN([C@H](C3)CCO)CC4=CC=CS4

InChI

InChI=1S/C23H32N2O2S/c26-13-10-20-17-24(11-12-25(20)18-23-9-4-14-28-23)16-19-5-3-8-22(15-19)27-21-6-1-2-7-21/h3-5,8-9,14-15,20-21,26H,1-2,6-7,10-13,16-18H2/p+1/t20-/m0/s1