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

Systemtic Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(5-methyl-2-furanyl)methyl]-4-[3-(1-pyrazolyl)propyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2CCO)CCCN3C=CC=N3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(C[C@@H]2CCO)CCCN3C=CC=N3

InChI

InChI=1S/C18H28N4O2/c1-16-4-5-18(24-16)15-21-12-11-20(14-17(21)6-13-23)8-3-10-22-9-2-7-19-22/h2,4-5,7,9,17,23H,3,6,8,10-15H2,1H3/p+1/t17-/m0/s1