[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]-homoveratryl-ammonium Formula: C21H28BrN2O5+ MolecularWeight: 468.36142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC(=C(C=C2)OC)OC)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC(=C(C=C2)OC)OC)Br)OCC(=O)N

InChI

InChI=1S/C21H27BrN2O5/c1-4-28-19-11-15(9-16(22)21(19)29-13-20(23)25)12-24-8-7-14-5-6-17(26-2)18(10-14)27-3/h5-6,9-11,24H,4,7-8,12-13H2,1-3H3,(H2,23,25)/p+1