(1-ethyl-5-methyl-pyrazol-4-yl)methyl-[[3-(2-methylpropoxy)phenyl]methyl]azanium

Systemtic Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-[[3-(2-methylpropoxy)phenyl]methyl]azanium Openeye Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-[(3-isobutoxyphenyl)methyl]ammonium CAS Name: (1-ethyl-5-methyl-4-pyrazolyl)methyl-[[3-(2-methylpropoxy)phenyl]methyl]ammonium IUPAC Name: (1-ethyl-5-methylpyrazol-4-yl)methyl-[[3-(2-methylpropoxy)phenyl]methyl]azanium Traditional Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-(3-isobutoxybenzyl)ammonium Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O/c1-5-21-15(4)17(12-20-21)11-19-10-16-7-6-8-18(9-16)22-13-14(2)3/h6-9,12,14,19H,5,10-11,13H2,1-4H3/p+1