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

Systemtic Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(5-methyl-2-furanyl)methyl]-4-[[3-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(5-methyl-2-furyl)methyl]-4-(3-pyrazol-1-ylbenzyl)piperazin-1-ium-2-yl]ethanol Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2CCO)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C22H28N4O2/c1-18-6-7-22(28-18)17-25-12-11-24(16-21(25)8-13-27)15-19-4-2-5-20(14-19)26-10-3-9-23-26/h2-7,9-10,14,21,27H,8,11-13,15-17H2,1H3/p+1/t21-/m0/s1