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

Systemtic Name: [5-bromanyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methylazanium Openeye Name: [2-[2-(benzylamino)-2-oxo-ethoxy]-5-bromo-phenyl]methylammonium CAS Name: [5-bromo-2-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]methylammonium IUPAC Name: [2-[2-(benzylamino)-2-oxoethoxy]-5-bromophenyl]methylazanium Traditional Name: [2-[2-(benzylamino)-2-keto-ethoxy]-5-bromo-benzyl]ammonium Formula: C16H18BrN2O2+ MolecularWeight: 350.23032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC2=C(C=C(C=C2)Br)C[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC2=C(C=C(C=C2)Br)C[NH3+]

InChI

InChI=1S/C16H17BrN2O2/c17-14-6-7-15(13(8-14)9-18)21-11-16(20)19-10-12-4-2-1-3-5-12/h1-8H,9-11,18H2,(H,19,20)/p+1