henicosyl-(1-phenyldodec-1-en-3-yn-2-yl)-phenylimino-azanium

Systemtic Name: henicosyl-(1-phenyldodec-1-en-3-yn-2-yl)-phenylimino-azanium Openeye Name: 1-benzylideneundec-2-ynyl-henicosyl-phenylimino-ammonium CAS Name: heneicosyl-(1-phenyldodec-1-en-3-yn-2-yl)-phenyliminoammonium IUPAC Name: henicosyl-(1-phenyldodec-1-en-3-yn-2-yl)-phenyliminoazanium Traditional Name: 1-benzalundec-2-ynyl-heneicosyl-phenylimino-ammonium Formula: C45H71N2+ MolecularWeight: 640.05864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC[N+](=NC1=CC=CC=C1)C(=CC2=CC=CC=C2)C#CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC[N+](=NC1=CC=CC=C1)C(=CC2=CC=CC=C2)C#CCCCCCCCC

InChI

InChI=1S/C45H71N2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-35-41-47(46-44-38-32-29-33-39-44)45(42-43-36-30-28-31-37-43)40-34-26-24-12-10-8-6-4-2/h28-33,36-39,42H,3-27,35,41H2,1-2H3/q+1