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

Systemtic Name: 3-phenyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]propanamide Openeye Name: 3-phenyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]propanamide CAS Name: 3-phenyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]propanamide IUPAC Name: 3-phenyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]propanamide Traditional Name: 3-phenyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]propionamide Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1CNC(=O)CCC2=CC=CC=C2)C)C

Isomeric SMILES

CC1=N[N+](=C(C1CNC(=O)CCC2=CC=CC=C2)C)C

InChI

InChI=1S/C16H21N3O/c1-12-15(13(2)19(3)18-12)11-17-16(20)10-9-14-7-5-4-6-8-14/h4-8,15H,9-11H2,1-3H3/p+1