1-(2-methoxyphenyl)-3-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(2-methoxyphenyl)-3-[2-[1-[(1R)-1-methyl-2-phenoxy-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea CAS Name: 1-(2-methoxyphenyl)-3-[2-[1-[(2R)-1-phenoxypropan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methoxyphenyl)-3-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(2-methoxyphenyl)-3-[2-[1-[(1R)-1-methyl-2-phenoxy-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Formula: C25H32N5O3+ MolecularWeight: 450.55328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4OC

Isomeric SMILES

C[C@H](COC1=CC=CC=C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C25H31N5O3/c1-19(18-33-21-8-4-3-5-9-21)29-16-13-20(14-17-29)30-24(12-15-26-30)28-25(31)27-22-10-6-7-11-23(22)32-2/h3-12,15,19-20H,13-14,16-18H2,1-2H3,(H2,27,28,31)/p+1/t19-/m1/s1