(4-bromanyl-2-oxidanyl-phenyl)methyl-(carboxymethyl)-prop-2-ynyl-azanium

Systemtic Name: (4-bromanyl-2-oxidanyl-phenyl)methyl-(carboxymethyl)-prop-2-ynyl-azanium Openeye Name: (4-bromo-2-hydroxy-phenyl)methyl-(carboxymethyl)-prop-2-ynyl-ammonium CAS Name: (4-bromo-2-hydroxyphenyl)methyl-(carboxymethyl)-prop-2-ynylammonium IUPAC Name: (4-bromo-2-hydroxyphenyl)methyl-(carboxymethyl)-prop-2-ynylazanium Traditional Name: (4-bromo-2-hydroxy-benzyl)-(carboxymethyl)-propargyl-ammonium Formula: C12H13BrNO3+ MolecularWeight: 299.14052

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[NH+](CC1=C(C=C(C=C1)Br)O)CC(=O)O

Isomeric SMILES

C#CC[NH+](CC1=C(C=C(C=C1)Br)O)CC(=O)O

InChI

InChI=1S/C12H12BrNO3/c1-2-5-14(8-12(16)17)7-9-3-4-10(13)6-11(9)15/h1,3-4,6,15H,5,7-8H2,(H,16,17)/p+1