4-methoxy-N-[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 4-methoxy-N-[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 4-methoxy-N-[2-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 4-methoxy-N-[2-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 4-methoxy-N-[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 4-methoxy-N-[2-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H25N5O2/c1-29-20-7-5-17(6-8-20)22(28)25-21-9-13-24-27(21)19-10-14-26(15-11-19)16-18-4-2-3-12-23-18/h2-9,12-13,19H,10-11,14-16H2,1H3,(H,25,28)/p+1