4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl-bis(prop-2-enyl)azanium

Systemtic Name: 4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]ammonium CAS Name: 4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl-bis(prop-2-enyl)ammonium IUPAC Name: 4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]ammonium Formula: C20H28NO+ MolecularWeight: 298.44242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO/c1-6-12-21(13-7-2)14-8-9-15-22-20-16-18(5)10-11-19(20)17(3)4/h6-7,10-11,16-17H,1-2,12-15H2,3-5H3/p+1