(4-ethoxyphenyl)-[(8-methyl-7-oxidanyl-2-oxidanylidene-4-propyl-chromen-6-yl)methyl]azanium chloride

Systemtic Name: (4-ethoxyphenyl)-[(8-methyl-7-oxidanyl-2-oxidanylidene-4-propyl-chromen-6-yl)methyl]azanium chloride Openeye Name: (4-ethoxyphenyl)-[(7-hydroxy-8-methyl-2-oxo-4-propyl-chromen-6-yl)methyl]ammonium chloride CAS Name: (4-ethoxyphenyl)-[(7-hydroxy-8-methyl-2-oxo-4-propyl-1-benzopyran-6-yl)methyl]ammonium chloride IUPAC Name: (4-ethoxyphenyl)-[(7-hydroxy-8-methyl-2-oxo-4-propylchromen-6-yl)methyl]azanium chloride Traditional Name: (7-hydroxy-2-keto-8-methyl-4-propyl-chromen-6-yl)methyl-p-phenetyl-ammonium chloride Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)C[NH2+]C3=CC=C(C=C3)OCC)O)C.[Cl-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)C[NH2+]C3=CC=C(C=C3)OCC)O)C.[Cl-]

InChI

InChI=1S/C22H25NO4.ClH/c1-4-6-15-12-20(24)27-22-14(3)21(25)16(11-19(15)22)13-23-17-7-9-18(10-8-17)26-5-2;/h7-12,23,25H,4-6,13H2,1-3H3;1H