[5-bromanyl-2-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-propyl-azanium

Systemtic Name: [5-bromanyl-2-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-propyl-azanium Openeye Name: [5-bromo-2-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-propyl-ammonium CAS Name: [5-bromo-2-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-propylammonium IUPAC Name: [5-bromo-2-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-propylazanium Traditional Name: [5-bromo-2-[2-keto-2-(phenethylamino)ethoxy]benzyl]-propyl-ammonium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H25BrN2O2/c1-2-11-22-14-17-13-18(21)8-9-19(17)25-15-20(24)23-12-10-16-6-4-3-5-7-16/h3-9,13,22H,2,10-12,14-15H2,1H3,(H,23,24)/p+1