[2-bromanyl-5-ethoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-bromanyl-5-ethoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [2-bromo-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [2-bromo-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-bromo-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [2-bromo-5-ethoxy-4-[2-keto-2-(phenethylamino)ethoxy]benzyl]-[(1R)-1-phenylethyl]ammonium Formula: C27H32BrN2O3+ MolecularWeight: 512.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C[NH2+]C(C)C2=CC=CC=C2)Br)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C[NH2+][C@H](C)C2=CC=CC=C2)Br)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H31BrN2O3/c1-3-32-25-16-23(18-30-20(2)22-12-8-5-9-13-22)24(28)17-26(25)33-19-27(31)29-15-14-21-10-6-4-7-11-21/h4-13,16-17,20,30H,3,14-15,18-19H2,1-2H3,(H,29,31)/p+1/t20-/m1/s1