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

Systemtic Name: 2-chloranyl-N-[2-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-chloro-benzamide CAS Name: N-[2-[1-[(5-acetyl-3-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-chlorobenzamide IUPAC Name: N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-chlorobenzamide Traditional Name: N-[2-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-chloro-benzamide Formula: C22H24ClN4O2S+ MolecularWeight: 443.96956

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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=C4Cl

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H23ClN4O2S/c1-15(28)20-12-16(14-30-20)13-26-10-7-17(8-11-26)27-21(6-9-24-27)25-22(29)18-4-2-3-5-19(18)23/h2-6,9,12,14,17H,7-8,10-11,13H2,1H3,(H,25,29)/p+1