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

Systemtic Name: N-[2-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Openeye Name: N-[2-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide CAS Name: N-[2-[1-[(5-acetyl-3-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methylbenzamide IUPAC Name: N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methylbenzamide Traditional Name: N-[2-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CSC(=C4)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CSC(=C4)C(=O)C

InChI

InChI=1S/C23H26N4O2S/c1-16-5-3-4-6-20(16)23(29)25-22-7-10-24-27(22)19-8-11-26(12-9-19)14-18-13-21(17(2)28)30-15-18/h3-7,10,13,15,19H,8-9,11-12,14H2,1-2H3,(H,25,29)/p+1