2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-dimethyl-ammonium Formula: C26H30NO2+ MolecularWeight: 388.5219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/p+1/b26-25-