3-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxopropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoylamino]propyl-dimethylazanium Traditional Name: 3-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]propyl-dimethyl-ammonium Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C19H28N4O/c1-15-18(11-12-19(24)20-13-8-14-22(3)4)16(2)23(21-15)17-9-6-5-7-10-17/h5-7,9-10H,8,11-14H2,1-4H3,(H,20,24)/p+1