(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methyl-(2-hydroxyethyl)azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methyl-(2-hydroxyethyl)azanium Openeye Name: (4-allyloxy-3-bromo-5-ethoxy-phenyl)methyl-(2-hydroxyethyl)ammonium CAS Name: (3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methyl-(2-hydroxyethyl)ammonium IUPAC Name: (3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methyl-(2-hydroxyethyl)azanium Traditional Name: (4-allyloxy-3-bromo-5-ethoxy-benzyl)-(2-hydroxyethyl)ammonium Formula: C14H21BrNO3+ MolecularWeight: 331.22544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC=C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC=C

InChI

InChI=1S/C14H20BrNO3/c1-3-7-19-14-12(15)8-11(10-16-5-6-17)9-13(14)18-4-2/h3,8-9,16-17H,1,4-7,10H2,2H3/p+1