(4-chloranyl-2-ethoxycarbonyl-3-methyl-1-benzofuran-5-yl)methyl-(2-hydroxyethyl)azanium

Systemtic Name: (4-chloranyl-2-ethoxycarbonyl-3-methyl-1-benzofuran-5-yl)methyl-(2-hydroxyethyl)azanium Openeye Name: (4-chloro-2-ethoxycarbonyl-3-methyl-benzofuran-5-yl)methyl-(2-hydroxyethyl)ammonium CAS Name: (4-chloro-2-ethoxycarbonyl-3-methyl-5-benzofuranyl)methyl-(2-hydroxyethyl)ammonium IUPAC Name: (4-chloro-2-ethoxycarbonyl-3-methyl-1-benzofuran-5-yl)methyl-(2-hydroxyethyl)azanium Traditional Name: (2-carbethoxy-4-chloro-3-methyl-benzofuran-5-yl)methyl-(2-hydroxyethyl)ammonium Formula: C15H19ClNO4+ MolecularWeight: 312.76866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)C[NH2+]CCO)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)C[NH2+]CCO)C

InChI

InChI=1S/C15H18ClNO4/c1-3-20-15(19)14-9(2)12-11(21-14)5-4-10(13(12)16)8-17-6-7-18/h4-5,17-18H,3,6-8H2,1-2H3/p+1