(1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium Traditional Name: (1,3-diphenylpyrazol-4-yl)methyl-[2-keto-2-(propargylamino)ethyl]-methyl-ammonium Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NCC#C

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NCC#C

InChI

InChI=1S/C22H22N4O/c1-3-14-23-21(27)17-25(2)15-19-16-26(20-12-8-5-9-13-20)24-22(19)18-10-6-4-7-11-18/h1,4-13,16H,14-15,17H2,2H3,(H,23,27)/p+1