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

Systemtic Name: 2-[(2S)-4-(3-phenylprop-2-ynyl)-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(3-phenylprop-2-ynyl)-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(3-phenylprop-2-ynyl)-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(3-phenylprop-2-ynyl)-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-phenylprop-2-ynyl)-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CSC=C2)CCO)CC#CC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CSC=C2)CCO)CC#CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2OS/c23-13-8-20-16-21(10-4-7-18-5-2-1-3-6-18)11-12-22(20)15-19-9-14-24-17-19/h1-3,5-6,9,14,17,20,23H,8,10-13,15-16H2/p+1/t20-/m0/s1