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

Systemtic Name: [2-chloranyl-5-ethoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-ethyl-azanium Openeye Name: [2-chloro-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-ethyl-ammonium CAS Name: [2-chloro-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-ethylammonium IUPAC Name: [2-chloro-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-ethylazanium Traditional Name: [2-chloro-5-ethoxy-4-[2-keto-2-(phenethylamino)ethoxy]benzyl]-ethyl-ammonium Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC1=CC(=C(C=C1Cl)OCC(=O)NCCC2=CC=CC=C2)OCC

Isomeric SMILES

CC[NH2+]CC1=CC(=C(C=C1Cl)OCC(=O)NCCC2=CC=CC=C2)OCC

InChI

InChI=1S/C21H27ClN2O3/c1-3-23-14-17-12-19(26-4-2)20(13-18(17)22)27-15-21(25)24-11-10-16-8-6-5-7-9-16/h5-9,12-13,23H,3-4,10-11,14-15H2,1-2H3,(H,24,25)/p+1