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

Systemtic Name: N-[2-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-[1-[(5-acetyl-3-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxybenzamide Traditional Name: N-[2-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C23H26N4O3S/c1-16(28)21-13-17(15-31-21)14-26-11-8-18(9-12-26)27-22(7-10-24-27)25-23(29)19-5-3-4-6-20(19)30-2/h3-7,10,13,15,18H,8-9,11-12,14H2,1-2H3,(H,25,29)/p+1