3-[4-[(E)-2-[6-(didodecylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-trimethyl-azanium

Systemtic Name: 3-[4-[(E)-2-[6-(didodecylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-trimethyl-azanium Openeye Name: 3-[4-[(E)-2-[6-(didodecylamino)-2-naphthyl]vinyl]pyridin-1-ium-1-yl]propyl-trimethyl-ammonium CAS Name: 3-[4-[(E)-2-[6-(didodecylamino)-2-naphthalenyl]ethenyl]-1-pyridin-1-iumyl]propyl-trimethylammonium IUPAC Name: 3-[4-[(E)-2-[6-(didodecylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-trimethylazanium Traditional Name: 3-[4-[(E)-2-[6-(dilaurylamino)-2-naphthyl]vinyl]pyridin-1-ium-1-yl]propyl-trimethyl-ammonium Formula: C47H77N3+2 MolecularWeight: 684.13438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC2=C(C=C1)C=C(C=C2)C=CC3=CC=[N+](C=C3)CCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC2=C(C=C1)C=C(C=C2)/C=C/C3=CC=[N+](C=C3)CCC[N+](C)(C)C

InChI

InChI=1S/C47H77N3/c1-6-8-10-12-14-16-18-20-22-24-36-49(37-25-23-21-19-17-15-13-11-9-7-2)47-32-31-45-41-44(29-30-46(45)42-47)28-27-43-33-38-48(39-34-43)35-26-40-50(3,4)5/h27-34,38-39,41-42H,6-26,35-37,40H2,1-5H3/q+2