2-[(2S)-4-[[3-(furan-2-yl)phenyl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[3-(furan-2-yl)phenyl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[3-(2-furyl)phenyl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[3-(2-furanyl)phenyl]methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[3-(furan-2-yl)phenyl]methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[3-(2-furyl)benzyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC=CC(=C2)C3=CC=CO3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC(=C2)C3=CC=CO3

InChI

InChI=1S/C18H24N2O2/c1-19-8-9-20(14-17(19)7-10-21)13-15-4-2-5-16(12-15)18-6-3-11-22-18/h2-6,11-12,17,21H,7-10,13-14H2,1H3/p+1/t17-/m0/s1