[2-chloranyl-5-ethoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-(2-hydroxyethyl)azanium

Systemtic Name: [2-chloranyl-5-ethoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-(2-hydroxyethyl)azanium Openeye Name: [2-chloro-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-(2-hydroxyethyl)ammonium CAS Name: [2-chloro-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-(2-hydroxyethyl)ammonium IUPAC Name: [2-chloro-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-(2-hydroxyethyl)azanium Traditional Name: [2-chloro-5-ethoxy-4-[2-keto-2-(phenethylamino)ethoxy]benzyl]-(2-hydroxyethyl)ammonium Formula: C21H28ClN2O4+ MolecularWeight: 407.91102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C[NH2+]CCO)Cl)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C[NH2+]CCO)Cl)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H27ClN2O4/c1-2-27-19-12-17(14-23-10-11-25)18(22)13-20(19)28-15-21(26)24-9-8-16-6-4-3-5-7-16/h3-7,12-13,23,25H,2,8-11,14-15H2,1H3,(H,24,26)/p+1