3-chloranyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide

Systemtic Name: 3-chloranyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Openeye Name: 3-chloro-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide CAS Name: 3-chloro-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide IUPAC Name: 3-chloro-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Traditional Name: 3-chloro-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Formula: C14H17ClN3O+ MolecularWeight: 278.75728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1CNC(=O)C2=CC(=CC=C2)Cl)C)C

Isomeric SMILES

CC1=N[N+](=C(C1CNC(=O)C2=CC(=CC=C2)Cl)C)C

InChI

InChI=1S/C14H16ClN3O/c1-9-13(10(2)18(3)17-9)8-16-14(19)11-5-4-6-12(15)7-11/h4-7,13H,8H2,1-3H3/p+1