2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(5-methyl-2-furanyl)methyl]-4-(3-phenylprop-2-ynyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2CCO)CC#CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(C[C@@H]2CCO)CC#CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-18-9-10-21(25-18)17-23-14-13-22(16-20(23)11-15-24)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,20,24H,11-17H2,1H3/p+1/t20-/m0/s1