[3-(2-methylpropoxy)phenyl]methyl-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C[NH2+]C(C)C2=NN(C=C2)C

Isomeric SMILES

C[C@H](C1=NN(C=C1)C)[NH2+]CC2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C17H25N3O/c1-13(2)12-21-16-7-5-6-15(10-16)11-18-14(3)17-8-9-20(4)19-17/h5-10,13-14,18H,11-12H2,1-4H3/p+1/t14-/m1/s1