[2-bromanyl-5-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl-propyl-azanium

Systemtic Name: [2-bromanyl-5-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl-propyl-azanium Openeye Name: [4-(2-anilino-2-oxo-ethoxy)-2-bromo-5-ethoxy-phenyl]methyl-propyl-ammonium CAS Name: [4-(2-anilino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methyl-propylammonium IUPAC Name: [4-(2-anilino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methyl-propylazanium Traditional Name: [4-(2-anilino-2-keto-ethoxy)-2-bromo-5-ethoxy-benzyl]-propyl-ammonium Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=CC(=C(C=C1Br)OCC(=O)NC2=CC=CC=C2)OCC

Isomeric SMILES

CCC[NH2+]CC1=CC(=C(C=C1Br)OCC(=O)NC2=CC=CC=C2)OCC

InChI

InChI=1S/C20H25BrN2O3/c1-3-10-22-13-15-11-18(25-4-2)19(12-17(15)21)26-14-20(24)23-16-8-6-5-7-9-16/h5-9,11-12,22H,3-4,10,13-14H2,1-2H3,(H,23,24)/p+1