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

Systemtic Name: N-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Openeye Name: N-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide CAS Name: N-[2-[1-[(2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methylbenzamide IUPAC Name: N-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methylbenzamide Traditional Name: 2-methyl-N-[2-(1-salicylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC=C4O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC=C4O

InChI

InChI=1S/C23H26N4O2/c1-17-6-2-4-8-20(17)23(29)25-22-10-13-24-27(22)19-11-14-26(15-12-19)16-18-7-3-5-9-21(18)28/h2-10,13,19,28H,11-12,14-16H2,1H3,(H,25,29)/p+1