(5-tert-butyl-1H-pyrazol-4-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (5-tert-butyl-1H-pyrazol-4-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (5-tert-butyl-1H-pyrazol-4-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (5-tert-butyl-1H-pyrazol-4-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (5-tert-butyl-1H-pyrazol-4-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (5-tert-butyl-1H-pyrazol-4-yl)methyl-m-anisyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=NN1)C[NH+](CC2CCCO2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=C(C=NN1)C[NH+](C[C@H]2CCCO2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H31N3O2/c1-21(2,3)20-17(12-22-23-20)14-24(15-19-9-6-10-26-19)13-16-7-5-8-18(11-16)25-4/h5,7-8,11-12,19H,6,9-10,13-15H2,1-4H3,(H,22,23)/p+1/t19-/m1/s1