3-(2-bromanyl-6-ethoxy-4-methanoyl-phenoxy)propyl-dimethyl-azanium

Systemtic Name: 3-(2-bromanyl-6-ethoxy-4-methanoyl-phenoxy)propyl-dimethyl-azanium Openeye Name: 3-(2-bromo-6-ethoxy-4-formyl-phenoxy)propyl-dimethyl-ammonium CAS Name: 3-(2-bromo-6-ethoxy-4-formylphenoxy)propyl-dimethylammonium IUPAC Name: 3-(2-bromo-6-ethoxy-4-formylphenoxy)propyl-dimethylazanium Traditional Name: 3-(2-bromo-6-ethoxy-4-formyl-phenoxy)propyl-dimethyl-ammonium Formula: C14H21BrNO3+ MolecularWeight: 331.22544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=O)Br)OCCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=O)Br)OCCC[NH+](C)C

InChI

InChI=1S/C14H20BrNO3/c1-4-18-13-9-11(10-17)8-12(15)14(13)19-7-5-6-16(2)3/h8-10H,4-7H2,1-3H3/p+1