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

Systemtic Name: 2-chloranyl-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-(3-hydroxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)CC4=CC(=CC=C4)O

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)CC4=CC(=CC=C4)O

InChI

InChI=1S/C22H23ClN4O2/c23-20-7-2-1-6-19(20)22(29)25-21-8-11-24-27(21)17-9-12-26(13-10-17)15-16-4-3-5-18(28)14-16/h1-8,11,14,17,28H,9-10,12-13,15H2,(H,25,29)/p+1