1-(2-methoxyphenyl)-3-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(2-methoxyphenyl)urea CAS Name: 1-(2-methoxyphenyl)-3-[2-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(2-methoxyphenyl)urea Traditional Name: 1-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]-3-(2-methoxyphenyl)urea Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-30-21-10-6-5-9-20(21)25-23(29)26-22-11-14-24-28(22)19-12-15-27(16-13-19)17-18-7-3-2-4-8-18/h2-11,14,19H,12-13,15-17H2,1H3,(H2,25,26,29)/p+1