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

Systemtic Name: 1-(2-methylphenyl)-3-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-(2-methylphenyl)-3-[2-[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methylphenyl)-3-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Traditional Name: 1-[2-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea Formula: C24H30N5OS+ MolecularWeight: 436.5929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5OS/c1-18-6-3-4-9-22(18)26-24(30)27-23-10-13-25-29(23)20-11-14-28(15-12-20)17-19-7-5-8-21(16-19)31-2/h3-10,13,16,20H,11-12,14-15,17H2,1-2H3,(H2,26,27,30)/p+1