3-[3-(3-azaniumylprop-1-ynyl)-5-methoxycarbonyl-phenyl]prop-2-ynylazanium

Systemtic Name: 3-[3-(3-azaniumylprop-1-ynyl)-5-methoxycarbonyl-phenyl]prop-2-ynylazanium Openeye Name: 3-[3-(3-azaniumylprop-1-ynyl)-5-methoxycarbonyl-phenyl]prop-2-ynylammonium CAS Name: 3-[3-(3-ammonioprop-1-ynyl)-5-methoxycarbonylphenyl]prop-2-ynylammonium IUPAC Name: 3-[3-(3-azaniumylprop-1-ynyl)-5-methoxycarbonylphenyl]prop-2-ynylazanium Traditional Name: 3-[3-(3-ammonioprop-1-ynyl)-5-carbomethoxy-phenyl]prop-2-ynylammonium Formula: C14H16N2O2+2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C#CC[NH3+])C#CC[NH3+]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C#CC[NH3+])C#CC[NH3+]

InChI

InChI=1S/C14H14N2O2/c1-18-14(17)13-9-11(4-2-6-15)8-12(10-13)5-3-7-16/h8-10H,6-7,15-16H2,1H3/p+2