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

Systemtic Name: 1-(2-methylphenyl)-3-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-(2-methylphenyl)-3-[2-[1-[3-(methylthio)propyl]-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methylphenyl)-3-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea Traditional Name: 1-[2-[1-[3-(methylthio)propyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea Formula: C20H30N5OS+ MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCSC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCSC

InChI

InChI=1S/C20H29N5OS/c1-16-6-3-4-7-18(16)22-20(26)23-19-8-11-21-25(19)17-9-13-24(14-10-17)12-5-15-27-2/h3-4,6-8,11,17H,5,9-10,12-15H2,1-2H3,(H2,22,23,26)/p+1