[2-bromanyl-5-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-(2-methylpropyl)azanium

Systemtic Name: [2-bromanyl-5-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-(2-methylpropyl)azanium Openeye Name: [4-[2-(benzylamino)-2-oxo-ethoxy]-2-bromo-5-methoxy-phenyl]methyl-isobutyl-ammonium CAS Name: [2-bromo-5-methoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [4-[2-(benzylamino)-2-oxoethoxy]-2-bromo-5-methoxyphenyl]methyl-(2-methylpropyl)azanium Traditional Name: [4-[2-(benzylamino)-2-keto-ethoxy]-2-bromo-5-methoxy-benzyl]-isobutyl-ammonium Formula: C21H28BrN2O3+ MolecularWeight: 436.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC1=CC(=C(C=C1Br)OCC(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)C[NH2+]CC1=CC(=C(C=C1Br)OCC(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H27BrN2O3/c1-15(2)11-23-13-17-9-19(26-3)20(10-18(17)22)27-14-21(25)24-12-16-7-5-4-6-8-16/h4-10,15,23H,11-14H2,1-3H3,(H,24,25)/p+1