1-(3,4-dipentylphenyl)hept-1-en-2-yl-(3,4-dipentylphenyl)imino-triacont-1-ynyl-azanium

Systemtic Name: 1-(3,4-dipentylphenyl)hept-1-en-2-yl-(3,4-dipentylphenyl)imino-triacont-1-ynyl-azanium Openeye Name: (3,4-dipentylphenyl)imino-[1-[(3,4-dipentylphenyl)methylene]hexyl]-triacont-1-ynyl-ammonium CAS Name: 1-(3,4-dipentylphenyl)hept-1-en-2-yl-(3,4-dipentylphenyl)imino-triacont-1-ynylammonium IUPAC Name: 1-(3,4-dipentylphenyl)hept-1-en-2-yl-(3,4-dipentylphenyl)imino-triacont-1-ynylazanium Traditional Name: [1-amyl-2-(3,4-diamylphenyl)vinyl]-(3,4-diamylphenyl)imino-triacont-1-ynyl-ammonium Formula: C69H119N2+ MolecularWeight: 976.69656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC#C[N+](=NC1=CC(=C(C=C1)CCCCC)CCCCC)C(=CC2=CC(=C(C=C2)CCCCC)CCCCC)CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC#C[N+](=NC1=CC(=C(C=C1)CCCCC)CCCCC)C(=CC2=CC(=C(C=C2)CCCCC)CCCCC)CCCCC

InChI

InChI=1S/C69H119N2/c1-7-13-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-49-59-71(70-68-58-57-65(51-45-15-9-3)67(62-68)53-47-17-11-5)69(54-48-18-12-6)61-63-55-56-64(50-44-14-8-2)66(60-63)52-46-16-10-4/h55-58,60-62H,7-48,50-54H2,1-6H3/q+1