1-(2-methylphenyl)-3-[2-[1-(2-piperidin-1-ium-1-ylethanoyl)piperidin-4-yl]pyrazol-3-yl]urea

Systemtic Name: 1-(2-methylphenyl)-3-[2-[1-(2-piperidin-1-ium-1-ylethanoyl)piperidin-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(o-tolyl)-3-[2-[1-(2-piperidin-1-ium-1-ylacetyl)-4-piperidyl]pyrazol-3-yl]urea CAS Name: 1-(2-methylphenyl)-3-[2-[1-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-4-piperidinyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methylphenyl)-3-[2-[1-(2-piperidin-1-ium-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(o-tolyl)-3-[2-[1-(2-piperidin-1-ium-1-ylacetyl)-4-piperidyl]pyrazol-3-yl]urea Formula: C23H33N6O2+ MolecularWeight: 425.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CCN(CC3)C(=O)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CCN(CC3)C(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H32N6O2/c1-18-7-3-4-8-20(18)25-23(31)26-21-9-12-24-29(21)19-10-15-28(16-11-19)22(30)17-27-13-5-2-6-14-27/h3-4,7-9,12,19H,2,5-6,10-11,13-17H2,1H3,(H2,25,26,31)/p+1