2-[4-[(E)-1-(3-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-methyl-azanium

Systemtic Name: 2-[4-[(E)-1-(3-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-methyl-azanium Openeye Name: 2-[4-[(E)-1-(3-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-methyl-ammonium CAS Name: 2-[4-[(E)-1-(3-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylammonium IUPAC Name: 2-[4-[(E)-1-(3-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylazanium Traditional Name: 2-[4-[(E)-1-(3-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-methyl-ammonium Formula: C25H28NO2+ MolecularWeight: 374.49532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC[NH2+]C)C2=CC(=CC=C2)O)C3=CC=CC=C3

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCC[NH2+]C)\C2=CC(=CC=C2)O)/C3=CC=CC=C3

InChI

InChI=1S/C25H27NO2/c1-3-24(19-8-5-4-6-9-19)25(21-10-7-11-22(27)18-21)20-12-14-23(15-13-20)28-17-16-26-2/h4-15,18,26-27H,3,16-17H2,1-2H3/p+1/b25-24+