4-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]morpholin-4-ium

Systemtic Name: 4-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]morpholin-4-ium Openeye Name: 4-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]morpholin-4-ium CAS Name: 4-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]morpholin-4-ium IUPAC Name: 4-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]morpholin-4-ium Traditional Name: 4-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]morpholin-4-ium Formula: C17H24NO2+ MolecularWeight: 274.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC#CC[NH+]2CCOCC2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC#CC[NH+]2CCOCC2)C)C

InChI

InChI=1S/C17H23NO2/c1-14-12-15(2)16(3)17(13-14)20-9-5-4-6-18-7-10-19-11-8-18/h12-13H,6-11H2,1-3H3/p+1