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

Systemtic Name: [3-bromanyl-5-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [4-[2-(benzylamino)-2-oxo-ethoxy]-3-bromo-5-methoxy-phenyl]methyl-phenethyl-ammonium CAS Name: [3-bromo-5-methoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-phenethylammonium IUPAC Name: [4-[2-(benzylamino)-2-oxoethoxy]-3-bromo-5-methoxyphenyl]methyl-phenethylazanium Traditional Name: [4-[2-(benzylamino)-2-keto-ethoxy]-3-bromo-5-methoxy-benzyl]-phenethyl-ammonium Formula: C25H28BrN2O3+ MolecularWeight: 484.40542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H27BrN2O3/c1-30-23-15-21(16-27-13-12-19-8-4-2-5-9-19)14-22(26)25(23)31-18-24(29)28-17-20-10-6-3-7-11-20/h2-11,14-15,27H,12-13,16-18H2,1H3,(H,28,29)/p+1