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

Systemtic Name: 1-(2-chlorophenyl)-3-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]urea Openeye Name: 1-(2-chlorophenyl)-3-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]urea CAS Name: 1-(2-chlorophenyl)-3-[2-(1-cyclohexyl-4-piperidin-1-iumyl)-3-pyrazolyl]urea IUPAC Name: 1-(2-chlorophenyl)-3-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]urea Traditional Name: 1-(2-chlorophenyl)-3-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]urea Formula: C21H29ClN5O+ MolecularWeight: 402.94086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H28ClN5O/c22-18-8-4-5-9-19(18)24-21(28)25-20-10-13-23-27(20)17-11-14-26(15-12-17)16-6-2-1-3-7-16/h4-5,8-10,13,16-17H,1-3,6-7,11-12,14-15H2,(H2,24,25,28)/p+1