4-(3,5-dimethylphenoxy)but-2-ynyl-methyl-azanium

Systemtic Name: 4-(3,5-dimethylphenoxy)but-2-ynyl-methyl-azanium Openeye Name: 4-(3,5-dimethylphenoxy)but-2-ynyl-methyl-ammonium CAS Name: 4-(3,5-dimethylphenoxy)but-2-ynyl-methylammonium IUPAC Name: 4-(3,5-dimethylphenoxy)but-2-ynyl-methylazanium Traditional Name: 4-(3,5-dimethylphenoxy)but-2-ynyl-methyl-ammonium Formula: C13H18NO+ MolecularWeight: 204.28812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-11-8-12(2)10-13(9-11)15-7-5-4-6-14-3/h8-10,14H,6-7H2,1-3H3/p+1