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

Systemtic Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-(3-pyridylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(5-methyl-2-furanyl)methyl]-4-(3-pyridinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-(3-pyridylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-15-4-5-18(23-15)14-21-9-8-20(13-17(21)6-10-22)12-16-3-2-7-19-11-16/h2-5,7,11,17,22H,6,8-10,12-14H2,1H3/p+1/t17-/m0/s1