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

Systemtic Name: 2-chloranyl-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C21H23ClN5O+ MolecularWeight: 396.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)CC4=CN=CC=C4

InChI

InChI=1S/C21H22ClN5O/c22-19-6-2-1-5-18(19)21(28)25-20-7-11-24-27(20)17-8-12-26(13-9-17)15-16-4-3-10-23-14-16/h1-7,10-11,14,17H,8-9,12-13,15H2,(H,25,28)/p+1