4-(2,5-dimethylphenoxy)but-2-ynyl-ethyl-azanium

Systemtic Name: 4-(2,5-dimethylphenoxy)but-2-ynyl-ethyl-azanium Openeye Name: 4-(2,5-dimethylphenoxy)but-2-ynyl-ethyl-ammonium CAS Name: 4-(2,5-dimethylphenoxy)but-2-ynyl-ethylammonium IUPAC Name: 4-(2,5-dimethylphenoxy)but-2-ynyl-ethylazanium Traditional Name: 4-(2,5-dimethylphenoxy)but-2-ynyl-ethyl-ammonium Formula: C14H20NO+ MolecularWeight: 218.3147

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC#CCOC1=C(C=CC(=C1)C)C

Isomeric SMILES

CC[NH2+]CC#CCOC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C14H19NO/c1-4-15-9-5-6-10-16-14-11-12(2)7-8-13(14)3/h7-8,11,15H,4,9-10H2,1-3H3/p+1