1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)C[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-28-20-12-10-19(11-13-20)22-16-21(18-8-4-2-5-9-18)24-26(22)23(27)17-25-14-6-3-7-15-25/h2,4-5,8-13,22H,3,6-7,14-17H2,1H3/p+1/t22-/m1/s1