2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-(iodanylmethyl)-dimethyl-azanium

Systemtic Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-(iodanylmethyl)-dimethyl-azanium Openeye Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-(iodomethyl)-dimethyl-ammonium CAS Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-(iodomethyl)-dimethylammonium IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-(iodomethyl)-dimethylazanium Traditional Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-(iodomethyl)-dimethyl-ammonium Formula: C27H31INO+ MolecularWeight: 512.44561

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCC[N+](C)(C)CI)C3=CC=CC=C3

Isomeric SMILES

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)CI)/C3=CC=CC=C3

InChI

InChI=1S/C27H31INO/c1-4-26(22-11-7-5-8-12-22)27(23-13-9-6-10-14-23)24-15-17-25(18-16-24)30-20-19-29(2,3)21-28/h5-18H,4,19-21H2,1-3H3/q+1/b27-26-