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

Systemtic Name: 1-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea Openeye Name: 1-[2-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea CAS Name: 1-[2-[1-(2-benzofuranylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-(2-chlorophenyl)urea IUPAC Name: 1-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea Traditional Name: 1-[2-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea Formula: C24H25ClN5O2+ MolecularWeight: 450.9406

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)NC3=CC=CC=C3Cl)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)NC3=CC=CC=C3Cl)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H24ClN5O2/c25-20-6-2-3-7-21(20)27-24(31)28-23-9-12-26-30(23)18-10-13-29(14-11-18)16-19-15-17-5-1-4-8-22(17)32-19/h1-9,12,15,18H,10-11,13-14,16H2,(H2,27,28,31)/p+1