2-(2-bromanyl-3,4,5-trimethoxy-phenyl)ethylazanium; carbonic acid

Systemtic Name: 2-(2-bromanyl-3,4,5-trimethoxy-phenyl)ethylazanium; carbonic acid Openeye Name: 2-(2-bromo-3,4,5-trimethoxy-phenyl)ethylammonium; carbonic acid CAS Name: 2-(2-bromo-3,4,5-trimethoxyphenyl)ethylammonium; carbonic acid IUPAC Name: 2-(2-bromo-3,4,5-trimethoxyphenyl)ethylazanium; carbonic acid Traditional Name: 2-(2-bromo-3,4,5-trimethoxy-phenyl)ethylammonium; carbonic acid Formula: C12H19BrNO6+ MolecularWeight: 353.18636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CC[NH3+])Br)OC)OC.C(=O)(O)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)CC[NH3+])Br)OC)OC.C(=O)(O)O

InChI

InChI=1S/C11H16BrNO3.CH2O3/c1-14-8-6-7(4-5-13)9(12)11(16-3)10(8)15-2;2-1(3)4/h6H,4-5,13H2,1-3H3;(H2,2,3,4)/p+1