4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl-[(2S)-oxolan-2-yl]azanium

Systemtic Name: 4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl-[(2S)-oxolan-2-yl]azanium Openeye Name: 4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl-[(2S)-tetrahydrofuran-2-yl]ammonium CAS Name: 4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl-[(2S)-2-oxolanyl]ammonium IUPAC Name: 4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl-[(2S)-oxolan-2-yl]azanium Traditional Name: 4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl-[(2S)-tetrahydrofuran-2-yl]ammonium Formula: C18H26NO2+ MolecularWeight: 288.40454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC#CC[NH2+]C2CCCO2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC#CC[NH2+][C@@H]2CCCO2

InChI

InChI=1S/C18H25NO2/c1-14(2)16-9-8-15(3)13-17(16)20-11-5-4-10-19-18-7-6-12-21-18/h8-9,13-14,18-19H,6-7,10-12H2,1-3H3/p+1/t18-/m0/s1