bis(2-methoxyethyl)-[[(2Z)-4-methyl-6-oxidanyl-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: bis(2-methoxyethyl)-[[(2Z)-4-methyl-6-oxidanyl-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-4-methyl-3-oxo-2-(3-pyridylmethylene)benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-6-hydroxy-4-methyl-3-oxo-2-(3-pyridinylmethylidene)-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-6-hydroxy-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-6-hydroxy-3-keto-4-methyl-2-(3-pyridylmethylene)coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C22H27N2O5+ MolecularWeight: 399.46018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CN=CC=C3)O2)C[NH+](CCOC)CCOC)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CN=CC=C3)/O2)C[NH+](CCOC)CCOC)O

InChI

InChI=1S/C22H26N2O5/c1-15-11-18(25)17(14-24(7-9-27-2)8-10-28-3)22-20(15)21(26)19(29-22)12-16-5-4-6-23-13-16/h4-6,11-13,25H,7-10,14H2,1-3H3/p+1/b19-12-