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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C24H29N4O2+ MolecularWeight: 405.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+](C)CC3=CC=C(C=C3)OCC=C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+](C)CC3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C24H28N4O2/c1-5-15-30-22-13-11-20(12-14-22)16-27(4)17-23(29)25-24-18(2)26-28(19(24)3)21-9-7-6-8-10-21/h5-14H,1,15-17H2,2-4H3,(H,25,29)/p+1