(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-keto-2-(propargylamino)ethyl]-methyl-ammonium Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NCC#C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NCC#C

InChI

InChI=1S/C18H22N4O/c1-5-11-19-18(23)13-21(4)12-17-14(2)20-22(15(17)3)16-9-7-6-8-10-16/h1,6-10H,11-13H2,2-4H3,(H,19,23)/p+1