1-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-[2-[1-(1,3-benzodioxol-4-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea Formula: C24H28N5O3+ MolecularWeight: 434.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C24H27N5O3/c1-17-5-2-3-7-20(17)26-24(30)27-22-9-12-25-29(22)19-10-13-28(14-11-19)15-18-6-4-8-21-23(18)32-16-31-21/h2-9,12,19H,10-11,13-16H2,1H3,(H2,26,27,30)/p+1