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

Systemtic Name: 4-methoxy-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 4-methoxy-N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 4-methoxy-N-[2-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 4-methoxy-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 4-methoxy-N-[2-[1-(3-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=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

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