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

Systemtic Name: 1-(2-chlorophenyl)-3-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]urea Openeye Name: 1-(2-chlorophenyl)-3-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]urea CAS Name: 1-(2-chlorophenyl)-3-[2-(1-cyclopentyl-4-piperidin-1-iumyl)-3-pyrazolyl]urea IUPAC Name: 1-(2-chlorophenyl)-3-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]urea Traditional Name: 1-(2-chlorophenyl)-3-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]urea Formula: C20H27ClN5O+ MolecularWeight: 388.91428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C20H26ClN5O/c21-17-7-3-4-8-18(17)23-20(27)24-19-9-12-22-26(19)16-10-13-25(14-11-16)15-5-1-2-6-15/h3-4,7-9,12,15-16H,1-2,5-6,10-11,13-14H2,(H2,23,24,27)/p+1