methyl-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]azanium

Systemtic Name: methyl-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]azanium Openeye Name: methyl-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]ammonium CAS Name: methyl-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]ammonium IUPAC Name: methyl-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]azanium Traditional Name: methyl-[4-(2,3,5-trimethylphenoxy)but-2-ynyl]ammonium Formula: C14H20NO+ MolecularWeight: 218.3147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO/c1-11-9-12(2)13(3)14(10-11)16-8-6-5-7-15-4/h9-10,15H,7-8H2,1-4H3/p+1