2-[[4-[(E)-2-cyano-2-isocyano-ethenyl]phenyl]-[(4-hexylphenyl)methyl]amino]ethyl-trimethyl-azanium

Systemtic Name: 2-[[4-[(E)-2-cyano-2-isocyano-ethenyl]phenyl]-[(4-hexylphenyl)methyl]amino]ethyl-trimethyl-azanium Openeye Name: 2-[4-[(E)-2-cyano-2-isocyano-vinyl]-N-[(4-hexylphenyl)methyl]anilino]ethyl-trimethyl-ammonium CAS Name: 2-[4-[(E)-2-cyano-2-isocyanoethenyl]-N-[(4-hexylphenyl)methyl]anilino]ethyl-trimethylammonium IUPAC Name: 2-[4-[(E)-2-cyano-2-isocyanoethenyl]-N-[(4-hexylphenyl)methyl]anilino]ethyl-trimethylazanium Traditional Name: 2-[4-[(E)-2-cyano-2-isocyano-vinyl]-N-(4-hexylbenzyl)anilino]ethyl-trimethyl-ammonium Formula: C28H37N4+ MolecularWeight: 429.62018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CN(CC[N+](C)(C)C)C2=CC=C(C=C2)C=C(C#N)[N+]#[C-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CN(CC[N+](C)(C)C)C2=CC=C(C=C2)/C=C(\C#N)/[N+]#[C-]

InChI

InChI=1S/C28H37N4/c1-6-7-8-9-10-24-11-13-26(14-12-24)23-31(19-20-32(3,4)5)28-17-15-25(16-18-28)21-27(22-29)30-2/h11-18,21H,6-10,19-20,23H2,1,3-5H3/q+1/b27-21+