3-icosyl-2-methyl-1,3-benzoxazol-3-ium

Systemtic Name: 3-icosyl-2-methyl-1,3-benzoxazol-3-ium Openeye Name: 3-icosyl-2-methyl-1,3-benzoxazol-3-ium CAS Name: 3-eicosyl-2-methyl-1,3-benzoxazol-3-ium IUPAC Name: 3-icosyl-2-methyl-1,3-benzoxazol-3-ium Traditional Name: 3-arachyl-2-methyl-1,3-benzoxazol-3-ium Formula: C28H48NO+ MolecularWeight: 414.68682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC[N+]1=C(OC2=CC=CC=C21)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[N+]1=C(OC2=CC=CC=C21)C

InChI

InChI=1S/C28H48NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-29-26(2)30-28-24-21-20-23-27(28)29/h20-21,23-24H,3-19,22,25H2,1-2H3/q+1