3-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)carbonyl-pyrazol-4-yl]prop-2-ynoxyazanium

Systemtic Name: 3-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)carbonyl-pyrazol-4-yl]prop-2-ynoxyazanium Openeye Name: 3-[3,5-dimethyl-1-(2,4,6-trimethylbenzoyl)pyrazol-4-yl]prop-2-ynoxyammonium CAS Name: 3-[3,5-dimethyl-1-[oxo-(2,4,6-trimethylphenyl)methyl]-4-pyrazolyl]prop-2-ynoxyammonium IUPAC Name: 3-[3,5-dimethyl-1-(2,4,6-trimethylbenzoyl)pyrazol-4-yl]prop-2-ynoxyazanium Traditional Name: 3-[3,5-dimethyl-1-(2,4,6-trimethylbenzoyl)pyrazol-4-yl]prop-2-ynoxyammonium Formula: C18H22N3O2+ MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)N2C(=C(C(=N2)C)C#CCO[NH3+])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)N2C(=C(C(=N2)C)C#CCO[NH3+])C)C

InChI

InChI=1S/C18H22N3O2/c1-11-9-12(2)17(13(3)10-11)18(22)21-15(5)16(14(4)20-21)7-6-8-23-19/h9-10H,8H2,1-5,19H3/q+1