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

Systemtic Name: 2-[(2S)-4-(2-ethylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2-ethylbutyl)-1-[(5-methyl-2-furyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-ethylbutyl)-1-[(5-methyl-2-furanyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2-ethylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-ethylbutyl)-1-[(5-methyl-2-furyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C18H33N2O2+ MolecularWeight: 309.46682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C[NH+]1CCN(C(C1)CCO)CC2=CC=C(O2)C

Isomeric SMILES

CCC(CC)C[NH+]1CCN([C@H](C1)CCO)CC2=CC=C(O2)C

InChI

InChI=1S/C18H32N2O2/c1-4-16(5-2)12-19-9-10-20(17(13-19)8-11-21)14-18-7-6-15(3)22-18/h6-7,16-17,21H,4-5,8-14H2,1-3H3/p+1/t17-/m0/s1