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

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(2-methoxyphenyl)-3-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea CAS Name: 1-(2-methoxyphenyl)-3-[2-[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methoxyphenyl)-3-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(2-methoxyphenyl)-3-[2-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O2S/c1-31-22-9-4-3-8-21(22)26-24(30)27-23-10-13-25-29(23)19-11-14-28(15-12-19)17-18-6-5-7-20(16-18)32-2/h3-10,13,16,19H,11-12,14-15,17H2,1-2H3,(H2,26,27,30)/p+1