N-[1,1-diethyl-2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-ium-6-yl]-1-phenyl-methanimine iodide

Systemtic Name: N-[1,1-diethyl-2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-ium-6-yl]-1-phenyl-methanimine iodide Openeye Name: N-[1,1-diethyl-2-phenyl-5-[(E)-styryl]indolin-1-ium-6-yl]-1-phenyl-methanimine iodide CAS Name: N-[1,1-diethyl-2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-ium-6-yl]-1-phenylmethanimine iodide IUPAC Name: N-[1,1-diethyl-2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-ium-6-yl]-1-phenylmethanimine iodide Traditional Name: benzal-[1,1-diethyl-2-phenyl-5-[(E)-styryl]indolin-1-ium-6-yl]amine iodide Formula: C33H33IN2 MolecularWeight: 584.53299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(CC2=C1C=C(C(=C2)C=CC3=CC=CC=C3)N=CC4=CC=CC=C4)C5=CC=CC=C5)CC.[I-]

Isomeric SMILES

CC[N+]1(C(CC2=C1C=C(C(=C2)/C=C/C3=CC=CC=C3)N=CC4=CC=CC=C4)C5=CC=CC=C5)CC.[I-]

InChI

InChI=1S/C33H33N2.HI/c1-3-35(4-2)32(28-18-12-7-13-19-28)23-30-22-29(21-20-26-14-8-5-9-15-26)31(24-33(30)35)34-25-27-16-10-6-11-17-27;/h5-22,24-25,32H,3-4,23H2,1-2H3;1H/q+1;/p-1/b21-20+,34-25?;