[3-(2,5-dimethoxyphenyl)carbonyl-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dipropyl-azanium chloride hydrate

Systemtic Name: [3-(2,5-dimethoxyphenyl)carbonyl-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dipropyl-azanium chloride hydrate Openeye Name: [3-(2,5-dimethoxybenzoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-dipropyl-ammonium chloride hydrate CAS Name: [3-[(2,5-dimethoxyphenyl)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-dipropylammonium chloride hydrate IUPAC Name: [3-(2,5-dimethoxybenzoyl)-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl-dipropylazanium chloride hydrate Traditional Name: [3-(2,5-dimethoxybenzoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-dipropyl-ammonium chloride hydrate Formula: C25H34ClNO6 MolecularWeight: 479.99356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1C(=C(O2)C)C(=O)C3=C(C=CC(=C3)OC)OC)O.O.[Cl-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1C(=C(O2)C)C(=O)C3=C(C=CC(=C3)OC)OC)O.O.[Cl-]

InChI

InChI=1S/C25H31NO5.ClH.H2O/c1-6-12-26(13-7-2)15-19-20(27)9-11-22-24(19)23(16(3)31-22)25(28)18-14-17(29-4)8-10-21(18)30-5;;/h8-11,14,27H,6-7,12-13,15H2,1-5H3;1H;1H2