1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-5-(4-chlorophenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(5S)-3-(4-chlorophenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C19H21ClN3O2+ MolecularWeight: 358.84194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2[C@@H](CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C19H20ClN3O2/c20-15-7-5-14(6-8-15)16-12-17(18-4-3-11-25-18)23(21-16)19(24)13-22-9-1-2-10-22/h3-8,11,17H,1-2,9-10,12-13H2/p+1/t17-/m0/s1