[5-bromanyl-2-[2-(diethylamino)-2-oxidanylidene-ethoxy]phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-[2-(diethylamino)-2-oxidanylidene-ethoxy]phenyl]methylazanium Openeye Name: [5-bromo-2-[2-(diethylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[2-(diethylamino)-2-oxoethoxy]phenyl]methylammonium IUPAC Name: [5-bromo-2-[2-(diethylamino)-2-oxoethoxy]phenyl]methylazanium Traditional Name: [5-bromo-2-[2-(diethylamino)-2-keto-ethoxy]benzyl]ammonium Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O2/c1-3-16(4-2)13(17)9-18-12-6-5-11(14)7-10(12)8-15/h5-7H,3-4,8-9,15H2,1-2H3/p+1