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

Systemtic Name: N-[2-[1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-[1-[(3-chloro-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-[1-[(3-chloro-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxybenzamide Traditional Name: N-[2-[1-(3-chloro-4-hydroxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Formula: C23H26ClN4O3+ MolecularWeight: 441.93054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC(=C(C=C4)O)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC(=C(C=C4)O)Cl

InChI

InChI=1S/C23H25ClN4O3/c1-31-21-5-3-2-4-18(21)23(30)26-22-8-11-25-28(22)17-9-12-27(13-10-17)15-16-6-7-20(29)19(24)14-16/h2-8,11,14,17,29H,9-10,12-13,15H2,1H3,(H,26,30)/p+1