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

Systemtic Name: 3-phenoxy-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Openeye Name: 3-phenoxy-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide CAS Name: 3-phenoxy-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide IUPAC Name: 3-phenoxy-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Traditional Name: 3-phenoxy-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1CNC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=N[N+](=C(C1CNC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C)C

InChI

InChI=1S/C20H21N3O2/c1-14-19(15(2)23(3)22-14)13-21-20(24)16-8-7-11-18(12-16)25-17-9-5-4-6-10-17/h4-12,19H,13H2,1-3H3/p+1