1-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-[2-(1-cyclohexyl-4-piperidin-1-iumyl)-3-pyrazolyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(o-tolyl)urea Formula: C22H32N5O+ MolecularWeight: 382.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C22H31N5O/c1-17-7-5-6-10-20(17)24-22(28)25-21-11-14-23-27(21)19-12-15-26(16-13-19)18-8-3-2-4-9-18/h5-7,10-11,14,18-19H,2-4,8-9,12-13,15-16H2,1H3,(H2,24,25,28)/p+1