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

Systemtic Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-[(5-methyl-2-furanyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-ethynylbenzyl)-1-[(5-methyl-2-furyl)methyl]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)CC3=CC=C(C=C3)C#C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-3-18-5-7-19(8-6-18)14-22-11-12-23(20(15-22)10-13-24)16-21-9-4-17(2)25-21/h1,4-9,20,24H,10-16H2,2H3/p+1/t20-/m0/s1