[2-methyl-3-(phenylmethyl)henicosan-2-yl]azanium

Systemtic Name: [2-methyl-3-(phenylmethyl)henicosan-2-yl]azanium Openeye Name: (2-benzyl-1,1-dimethyl-icosyl)ammonium CAS Name: [2-methyl-3-(phenylmethyl)heneicosan-2-yl]ammonium IUPAC Name: (3-benzyl-2-methylhenicosan-2-yl)azanium Traditional Name: (2-benzyl-1,1-dimethyl-eicosyl)ammonium Formula: C29H54N+ MolecularWeight: 416.74576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(C)(C)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(C)(C)[NH3+]

InChI

InChI=1S/C29H53N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(29(2,3)30)26-27-23-20-19-21-24-27/h19-21,23-24,28H,4-18,22,25-26,30H2,1-3H3/p+1