(3,3-dimethyl-2-methylidene-1-phenyl-icosyl)azanium

Systemtic Name: (3,3-dimethyl-2-methylidene-1-phenyl-icosyl)azanium Openeye Name: (3,3-dimethyl-2-methylene-1-phenyl-icosyl)ammonium CAS Name: (3,3-dimethyl-2-methylene-1-phenyleicosyl)ammonium IUPAC Name: (3,3-dimethyl-2-methylidene-1-phenylicosyl)azanium Traditional Name: [2-(1,1-dimethyloctadecyl)-1-phenyl-allyl]ammonium Formula: C29H52N+ MolecularWeight: 414.72988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H51N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29(3,4)26(2)28(30)27-23-20-19-21-24-27/h19-21,23-24,28H,2,5-18,22,25,30H2,1,3-4H3/p+1