2-[4-[(E)-1-(1H-indol-3-yl)-2-phenyl-but-1-enyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[(E)-1-(1H-indol-3-yl)-2-phenyl-but-1-enyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[(E)-1-(1H-indol-3-yl)-2-phenyl-but-1-enyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(E)-1-(1H-indol-3-yl)-2-phenylbut-1-enyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[(E)-1-(1H-indol-3-yl)-2-phenylbut-1-enyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[(E)-1-(1H-indol-3-yl)-2-phenyl-but-1-enyl]phenoxy]ethyl-dimethyl-ammonium Formula: C28H31N2O+ MolecularWeight: 411.55854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC[NH+](C)C)C2=CNC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCC[NH+](C)C)\C2=CNC3=CC=CC=C32)/C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O/c1-4-24(21-10-6-5-7-11-21)28(26-20-29-27-13-9-8-12-25(26)27)22-14-16-23(17-15-22)31-19-18-30(2)3/h5-17,20,29H,4,18-19H2,1-3H3/p+1/b28-24+