1-[5-[3,5-bis[5-(3-butylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]-3-butyl-pyridin-1-ium

Systemtic Name: 1-[5-[3,5-bis[5-(3-butylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]-3-butyl-pyridin-1-ium Openeye Name: 1-[5-[3,5-bis[5-(3-butylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]-3-butyl-pyridin-1-ium CAS Name: 1-[5-[3,5-bis[5-(3-butyl-1-pyridin-1-iumyl)pent-1-ynyl]phenyl]pent-4-ynyl]-3-butylpyridin-1-ium IUPAC Name: 1-[5-[3,5-bis[5-(3-butylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]-3-butylpyridin-1-ium Traditional Name: 1-[5-[3,5-bis[5-(3-butylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]-3-butyl-pyridin-1-ium Formula: C48H60N3+3 MolecularWeight: 679.0101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[N+](=CC=C1)CCCC#CC2=CC(=CC(=C2)C#CCCC[N+]3=CC=CC(=C3)CCCC)C#CCCC[N+]4=CC=CC(=C4)CCCC

Isomeric SMILES

CCCCC1=C[N+](=CC=C1)CCCC#CC2=CC(=CC(=C2)C#CCCC[N+]3=CC=CC(=C3)CCCC)C#CCCC[N+]4=CC=CC(=C4)CCCC

InChI

InChI=1S/C48H60N3/c1-4-7-22-43-28-19-34-49(40-43)31-16-10-13-25-46-37-47(26-14-11-17-32-50-35-20-29-44(41-50)23-8-5-2)39-48(38-46)27-15-12-18-33-51-36-21-30-45(42-51)24-9-6-3/h19-21,28-30,34-42H,4-12,16-18,22-24,31-33H2,1-3H3/q+3