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1-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
1-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=CC=CC=C5S4
Isomeric SMILES
CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=CC=CC=C5S4
InChI
InChI=1S/C25H27N5OS/c1-18-6-2-4-8-22(18)27-25(31)28-24-10-13-26-30(24)20-11-14-29(15-12-20)17-21-16-19-7-3-5-9-23(19)32-21/h2-10,13,16,20H,11-12,14-15,17H2,1H3,(H2,27,28,31)/p+1
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