2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]ethyl-dimethyl-azanium chloride

Systemtic Name: 2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]ethyl-dimethyl-azanium chloride Openeye Name: 2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-chroman-4-yl)phenoxy]ethyl-dimethyl-ammonium chloride CAS Name: 2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-1-benzopyran-4-yl)phenoxy]ethyl-dimethylammonium chloride IUPAC Name: 2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]ethyl-dimethylazanium chloride Traditional Name: 2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-chroman-4-yl)phenoxy]ethyl-dimethyl-ammonium chloride Formula: C28H34ClNO3 MolecularWeight: 468.02746

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCC[NH+](C)C)C4=CC=CC=C4)C.[Cl-]

Isomeric SMILES

CC1(C(C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCC[NH+](C)C)C4=CC=CC=C4)C.[Cl-]

InChI

InChI=1S/C28H33NO3.ClH/c1-28(2)27(21-9-7-6-8-10-21)26(24-16-15-23(30-5)19-25(24)32-28)20-11-13-22(14-12-20)31-18-17-29(3)4;/h6-16,19,26-27H,17-18H2,1-5H3;1H