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

Systemtic Name: [2-bromanyl-5-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl-[(1S)-1-phenylethyl]azanium Openeye Name: [4-(2-anilino-2-oxo-ethoxy)-2-bromo-5-ethoxy-phenyl]methyl-[(1S)-1-phenylethyl]ammonium CAS Name: [4-(2-anilino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: [4-(2-anilino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium Traditional Name: [4-(2-anilino-2-keto-ethoxy)-2-bromo-5-ethoxy-benzyl]-[(1S)-1-phenylethyl]ammonium Formula: C25H28BrN2O3+ MolecularWeight: 484.40542

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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)NC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C[NH2+][C@@H](C)C2=CC=CC=C2)Br)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H27BrN2O3/c1-3-30-23-14-20(16-27-18(2)19-10-6-4-7-11-19)22(26)15-24(23)31-17-25(29)28-21-12-8-5-9-13-21/h4-15,18,27H,3,16-17H2,1-2H3,(H,28,29)/p+1/t18-/m0/s1