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

Systemtic Name: 2-methyl-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methyl-N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-methyl-N-[2-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methyl-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methyl-N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H25N5O/c1-17-5-2-3-7-20(17)22(28)25-21-8-12-24-27(21)19-9-13-26(14-10-19)16-18-6-4-11-23-15-18/h2-8,11-12,15,19H,9-10,13-14,16H2,1H3,(H,25,28)/p+1