(3-bromanyl-4,5-diethoxy-phenyl)methyl-(2-hydroxyethyl)azanium

Systemtic Name: (3-bromanyl-4,5-diethoxy-phenyl)methyl-(2-hydroxyethyl)azanium Openeye Name: (3-bromo-4,5-diethoxy-phenyl)methyl-(2-hydroxyethyl)ammonium CAS Name: (3-bromo-4,5-diethoxyphenyl)methyl-(2-hydroxyethyl)ammonium IUPAC Name: (3-bromo-4,5-diethoxyphenyl)methyl-(2-hydroxyethyl)azanium Traditional Name: (3-bromo-4,5-diethoxy-benzyl)-(2-hydroxyethyl)ammonium Formula: C13H21BrNO3+ MolecularWeight: 319.21474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO3/c1-3-17-12-8-10(9-15-5-6-16)7-11(14)13(12)18-4-2/h7-8,15-16H,3-6,9H2,1-2H3/p+1