2-[(2S)-4-[(5-ethylfuran-2-yl)methyl]-1-propan-2-yl-piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-ethylfuran-2-yl)methyl]-1-propan-2-yl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-ethyl-2-furyl)methyl]-1-isopropyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-ethyl-2-furanyl)methyl]-1-propan-2-yl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-ethylfuran-2-yl)methyl]-1-propan-2-ylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-ethyl-2-furyl)methyl]-1-isopropyl-piperazin-4-ium-2-yl]ethanol Formula: C16H29N2O2+ MolecularWeight: 281.41366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCN(C(C2)CCO)C(C)C

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCN([C@H](C2)CCO)C(C)C

InChI

InChI=1S/C16H28N2O2/c1-4-15-5-6-16(20-15)12-17-8-9-18(13(2)3)14(11-17)7-10-19/h5-6,13-14,19H,4,7-12H2,1-3H3/p+1/t14-/m0/s1