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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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