(1,3-dimethylpyrazol-4-yl)methyl-[[4-(2-methylpropoxy)phenyl]methyl]azanium

Systemtic Name: (1,3-dimethylpyrazol-4-yl)methyl-[[4-(2-methylpropoxy)phenyl]methyl]azanium Openeye Name: (1,3-dimethylpyrazol-4-yl)methyl-[(4-isobutoxyphenyl)methyl]ammonium CAS Name: (1,3-dimethyl-4-pyrazolyl)methyl-[[4-(2-methylpropoxy)phenyl]methyl]ammonium IUPAC Name: (1,3-dimethylpyrazol-4-yl)methyl-[[4-(2-methylpropoxy)phenyl]methyl]azanium Traditional Name: (1,3-dimethylpyrazol-4-yl)methyl-(4-isobutoxybenzyl)ammonium Formula: C17H26N3O+ MolecularWeight: 288.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH2+]CC2=CC=C(C=C2)OCC(C)C)C

Isomeric SMILES

CC1=NN(C=C1C[NH2+]CC2=CC=C(C=C2)OCC(C)C)C

InChI

InChI=1S/C17H25N3O/c1-13(2)12-21-17-7-5-15(6-8-17)9-18-10-16-11-20(4)19-14(16)3/h5-8,11,13,18H,9-10,12H2,1-4H3/p+1