[1,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenoxy]pyrazol-4-yl]methylazanium

Systemtic Name: [1,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenoxy]pyrazol-4-yl]methylazanium Openeye Name: [5-[4-(1,1-dimethylpropyl)phenoxy]-1,3-dimethyl-pyrazol-4-yl]methylammonium CAS Name: [1,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenoxy]-4-pyrazolyl]methylammonium IUPAC Name: [1,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenoxy]pyrazol-4-yl]methylazanium Traditional Name: [5-(4-tert-amylphenoxy)-1,3-dimethyl-pyrazol-4-yl]methylammonium Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=C(C(=NN2C)C)C[NH3+]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=C(C(=NN2C)C)C[NH3+]

InChI

InChI=1S/C17H25N3O/c1-6-17(3,4)13-7-9-14(10-8-13)21-16-15(11-18)12(2)19-20(16)5/h7-10H,6,11,18H2,1-5H3/p+1