[2-chloranyl-5-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl-(2-methylpropyl)azanium

Systemtic Name: [2-chloranyl-5-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl-(2-methylpropyl)azanium Openeye Name: [4-(2-anilino-2-oxo-ethoxy)-2-chloro-5-ethoxy-phenyl]methyl-isobutyl-ammonium CAS Name: [4-(2-anilino-2-oxoethoxy)-2-chloro-5-ethoxyphenyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [4-(2-anilino-2-oxoethoxy)-2-chloro-5-ethoxyphenyl]methyl-(2-methylpropyl)azanium Traditional Name: [4-(2-anilino-2-keto-ethoxy)-2-chloro-5-ethoxy-benzyl]-isobutyl-ammonium Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C[NH2+]CC(C)C)Cl)OCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C[NH2+]CC(C)C)Cl)OCC(=O)NC2=CC=CC=C2

InChI

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