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

Systemtic Name: [5-bromanyl-2-[2-oxidanylidene-2-(propylamino)ethoxy]phenyl]methylazanium Openeye Name: [5-bromo-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methylammonium IUPAC Name: [5-bromo-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methylazanium Traditional Name: [5-bromo-2-[2-keto-2-(propylamino)ethoxy]benzyl]ammonium Formula: C12H18BrN2O2+ MolecularWeight: 302.18752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2O2/c1-2-5-15-12(16)8-17-11-4-3-10(13)6-9(11)7-14/h3-4,6H,2,5,7-8,14H2,1H3,(H,15,16)/p+1