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

Systemtic Name: [4-(2-methylpropoxy)phenyl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: (4-isobutoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [4-(2-methylpropoxy)phenyl]methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [4-(2-methylpropoxy)phenyl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: (4-isobutoxybenzyl)-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C[NH2+]CC2=CN(N=C2)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C[NH2+]CC2=CN(N=C2)C

InChI

InChI=1S/C16H23N3O/c1-13(2)12-20-16-6-4-14(5-7-16)8-17-9-15-10-18-19(3)11-15/h4-7,10-11,13,17H,8-9,12H2,1-3H3/p+1