1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-pyrrolidin-1-ium-1-yl-propan-1-one

Systemtic Name: 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-pyrrolidin-1-ium-1-yl-propan-1-one Openeye Name: 1-[(3R)-5-(4-chlorophenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-3-pyrrolidin-1-ium-1-yl-propan-1-one CAS Name: 1-[(3R)-5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-3-(1-pyrrolidin-1-iumyl)-1-propanone IUPAC Name: 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-pyrrolidin-1-ium-1-ylpropan-1-one Traditional Name: 1-[(5R)-3-(4-chlorophenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-3-pyrrolidin-1-ium-1-yl-propan-1-one Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2/c21-16-7-5-15(6-8-16)17-14-18(19-4-3-13-26-19)24(22-17)20(25)9-12-23-10-1-2-11-23/h3-8,13,18H,1-2,9-12,14H2/p+1/t18-/m1/s1