(3-ethyl-7-methoxy-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl-(phenylmethyl)azanium chloride

Systemtic Name: (3-ethyl-7-methoxy-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[(3-ethyl-7-methoxy-4-oxo-2-phenyl-chromen-8-yl)methyl]ammonium chloride CAS Name: (3-ethyl-7-methoxy-4-oxo-2-phenyl-1-benzopyran-8-yl)methyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[(3-ethyl-7-methoxy-4-oxo-2-phenylchromen-8-yl)methyl]azanium chloride Traditional Name: benzyl-[(3-ethyl-4-keto-7-methoxy-2-phenyl-chromen-8-yl)methyl]ammonium chloride Formula: C26H26ClNO3 MolecularWeight: 435.94254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH2+]CC3=CC=CC=C3)OC)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH2+]CC3=CC=CC=C3)OC)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C26H25NO3.ClH/c1-3-20-24(28)21-14-15-23(29-2)22(17-27-16-18-10-6-4-7-11-18)26(21)30-25(20)19-12-8-5-9-13-19;/h4-15,27H,3,16-17H2,1-2H3;1H