(3-octadecyl-1-phenyl-henicosyl)azanium

Systemtic Name: (3-octadecyl-1-phenyl-henicosyl)azanium Openeye Name: (3-octadecyl-1-phenyl-henicosyl)ammonium CAS Name: (3-octadecyl-1-phenylheneicosyl)ammonium IUPAC Name: (3-octadecyl-1-phenylhenicosyl)azanium Traditional Name: (1-phenyl-3-stearyl-heneicosyl)ammonium Formula: C45H86N+ MolecularWeight: 641.17104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)CC(C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)CC(C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C45H85N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38-43(42-45(46)44-40-36-33-37-41-44)39-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-37,40-41,43,45H,3-32,34-35,38-39,42,46H2,1-2H3/p+1