1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: 1-[(3S)-3-(2-furyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: 1-[(3S)-3-(2-furanyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: 1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: 1-[(5S)-5-(2-furyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-3-piperidin-1-ium-1-yl-propan-1-one Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC=CO3)C(=O)CC[NH+]4CCCCC4

InChI

InChI=1S/C22H27N3O2/c1-17-7-9-18(10-8-17)19-16-20(21-6-5-15-27-21)25(23-19)22(26)11-14-24-12-3-2-4-13-24/h5-10,15,20H,2-4,11-14,16H2,1H3/p+1/t20-/m0/s1