2-(2-octadecan-9-ylphenyl)propan-2-ylazanium

Systemtic Name: 2-(2-octadecan-9-ylphenyl)propan-2-ylazanium Openeye Name: [1-methyl-1-[2-(1-octyldecyl)phenyl]ethyl]ammonium CAS Name: 2-(2-octadecan-9-ylphenyl)propan-2-ylammonium IUPAC Name: 2-(2-octadecan-9-ylphenyl)propan-2-ylazanium Traditional Name: [1-methyl-1-[2-(1-octyldecyl)phenyl]ethyl]ammonium Formula: C27H50N+ MolecularWeight: 388.6926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)C1=CC=CC=C1C(C)(C)[NH3+]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)C1=CC=CC=C1C(C)(C)[NH3+]

InChI

InChI=1S/C27H49N/c1-5-7-9-11-13-15-17-21-24(20-16-14-12-10-8-6-2)25-22-18-19-23-26(25)27(3,4)28/h18-19,22-24H,5-17,20-21,28H2,1-4H3/p+1