(3-butyl-5-ethyl-4-phenyl-phenyl)imino-[(E)-1-(4-butyl-3-octyl-5-phenyl-phenyl)but-1-en-2-yl]-methyl-azanium

Systemtic Name: (3-butyl-5-ethyl-4-phenyl-phenyl)imino-[(E)-1-(4-butyl-3-octyl-5-phenyl-phenyl)but-1-en-2-yl]-methyl-azanium Openeye Name: (3-butyl-5-ethyl-4-phenyl-phenyl)imino-[(1E)-1-[(4-butyl-3-octyl-5-phenyl-phenyl)methylene]propyl]-methyl-ammonium CAS Name: (3-butyl-5-ethyl-4-phenylphenyl)imino-[(E)-1-(4-butyl-3-octyl-5-phenylphenyl)but-1-en-2-yl]-methylammonium IUPAC Name: (3-butyl-5-ethyl-4-phenylphenyl)imino-[(E)-1-(4-butyl-3-octyl-5-phenylphenyl)but-1-en-2-yl]-methylazanium Traditional Name: (3-butyl-5-ethyl-4-phenyl-phenyl)imino-[(E)-2-(4-butyl-3-octyl-5-phenyl-phenyl)-1-ethyl-vinyl]-methyl-ammonium Formula: C47H63N2+ MolecularWeight: 656.01652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC(=C1)C=C(CC)[N+](=NC2=CC(=C(C(=C2)CC)C3=CC=CC=C3)CCCC)C)C4=CC=CC=C4)CCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=CC(=C1)/C=C(\CC)/[N+](=NC2=CC(=C(C(=C2)CC)C3=CC=CC=C3)CCCC)C)C4=CC=CC=C4)CCCC

InChI

InChI=1S/C47H63N2/c1-7-12-15-16-17-20-30-41-32-37(34-46(45(41)31-14-9-3)39-26-21-18-22-27-39)33-44(11-5)49(6)48-43-35-38(10-4)47(40-28-23-19-24-29-40)42(36-43)25-13-8-2/h18-19,21-24,26-29,32-36H,7-17,20,25,30-31H2,1-6H3/q+1/b44-33+,49-48?