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

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(2-methoxyphenyl)-3-[2-[1-[(1R)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea CAS Name: 1-(2-methoxyphenyl)-3-[2-[1-[(2R)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methoxyphenyl)-3-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(2-methoxyphenyl)-3-[2-[1-[(1R)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Formula: C20H30N5O2S+ MolecularWeight: 404.5495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

C[C@H](CSC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C20H29N5O2S/c1-15(14-28-3)24-12-9-16(10-13-24)25-19(8-11-21-25)23-20(26)22-17-6-4-5-7-18(17)27-2/h4-8,11,15-16H,9-10,12-14H2,1-3H3,(H2,22,23,26)/p+1/t15-/m1/s1