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

Systemtic Name: 1-(2-chlorophenyl)-3-[2-[1-(1-ethylpiperidin-1-ium-4-yl)piperidin-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(2-chlorophenyl)-3-[2-[1-(1-ethylpiperidin-1-ium-4-yl)-4-piperidyl]pyrazol-3-yl]urea CAS Name: 1-(2-chlorophenyl)-3-[2-[1-(1-ethyl-4-piperidin-1-iumyl)-4-piperidinyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-chlorophenyl)-3-[2-[1-(1-ethylpiperidin-1-ium-4-yl)piperidin-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(2-chlorophenyl)-3-[2-[1-(1-ethylpiperidin-1-ium-4-yl)-4-piperidyl]pyrazol-3-yl]urea Formula: C22H32ClN6O+ MolecularWeight: 431.98208

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)N2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C22H31ClN6O/c1-2-27-13-8-17(9-14-27)28-15-10-18(11-16-28)29-21(7-12-24-29)26-22(30)25-20-6-4-3-5-19(20)23/h3-7,12,17-18H,2,8-11,13-16H2,1H3,(H2,25,26,30)/p+1