N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-(benzofurazan-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C22H23N6O2+ MolecularWeight: 403.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC5=NON=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C22H22N6O2/c29-22(17-4-2-1-3-5-17)24-21-8-11-23-28(21)18-9-12-27(13-10-18)15-16-6-7-19-20(14-16)26-30-25-19/h1-8,11,14,18H,9-10,12-13,15H2,(H,24,29)/p+1