1-[2-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[2-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-[2-[1-[(5-acetyl-3-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2S/c1-16-5-3-4-6-20(16)25-23(30)26-22-7-10-24-28(22)19-8-11-27(12-9-19)14-18-13-21(17(2)29)31-15-18/h3-7,10,13,15,19H,8-9,11-12,14H2,1-2H3,(H2,25,26,30)/p+1