2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-1-[(5S)-5-phenyl-3-pyrazolin-1-yl]ethanone Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(C=CN2)C3=CC=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](C=CN2)C3=CC=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H22N4O3/c25-19(24-17(8-9-21-24)16-5-2-1-3-6-16)15-22-10-12-23(13-11-22)20(26)18-7-4-14-27-18/h1-9,14,17,21H,10-13,15H2/p+1/t17-/m0/s1