[5-bromanyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-(2-methylpropyl)azanium

Systemtic Name: [5-bromanyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-(2-methylpropyl)azanium Openeye Name: [2-[2-(benzylamino)-2-oxo-ethoxy]-5-bromo-phenyl]methyl-isobutyl-ammonium CAS Name: [5-bromo-2-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [2-[2-(benzylamino)-2-oxoethoxy]-5-bromophenyl]methyl-(2-methylpropyl)azanium Traditional Name: [2-[2-(benzylamino)-2-keto-ethoxy]-5-bromo-benzyl]-isobutyl-ammonium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)NCC2=CC=CC=C2

InChI

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