(1-ethylpyrazol-4-yl)methyl-[[4-(2-methylpropoxy)phenyl]methyl]azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH2+]CC2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CCN1C=C(C=N1)C[NH2+]CC2=CC=C(C=C2)OCC(C)C

InChI

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