dimethyl-[2-[4-[(E)-2-phenyl-1-(4-prop-2-enoxycarbonyloxyphenyl)but-1-enyl]phenoxy]ethyl]azanium

Systemtic Name: dimethyl-[2-[4-[(E)-2-phenyl-1-(4-prop-2-enoxycarbonyloxyphenyl)but-1-enyl]phenoxy]ethyl]azanium Openeye Name: 2-[4-[(E)-1-(4-allyloxycarbonyloxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[4-[(E)-1-[4-[oxo(prop-2-enoxy)methoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ammonium IUPAC Name: dimethyl-[2-[4-[(E)-2-phenyl-1-(4-prop-2-enoxycarbonyloxyphenyl)but-1-enyl]phenoxy]ethyl]azanium Traditional Name: 2-[4-[(E)-1-(4-allyloxycarbonyloxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-dimethyl-ammonium Formula: C30H34NO4+ MolecularWeight: 472.59526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33NO4/c1-5-21-34-30(32)35-27-18-14-25(15-19-27)29(28(6-2)23-10-8-7-9-11-23)24-12-16-26(17-13-24)33-22-20-31(3)4/h5,7-19H,1,6,20-22H2,2-4H3/p+1/b29-28+