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

Systemtic Name: 3,4-dimethoxy-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Openeye Name: 3,4-dimethoxy-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide CAS Name: 3,4-dimethoxy-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Traditional Name: 3,4-dimethoxy-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-10-13(11(2)19(3)18-10)9-17-16(20)12-6-7-14(21-4)15(8-12)22-5/h6-8,13H,9H2,1-5H3/p+1