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

Systemtic Name: 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3R)-3-(2-furyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(3R)-3-(2-furanyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(5R)-5-(2-furyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CO3)C(=O)C[NH+]4CCCC4

InChI

InChI=1S/C20H23N3O2/c1-15-6-8-16(9-7-15)17-13-18(19-5-4-12-25-19)23(21-17)20(24)14-22-10-2-3-11-22/h4-9,12,18H,2-3,10-11,13-14H2,1H3/p+1/t18-/m1/s1