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

Systemtic Name: 3-docosyl-2-methyl-1,3-benzoxazol-3-ium Openeye Name: 3-docosyl-2-methyl-1,3-benzoxazol-3-ium CAS Name: 3-docosyl-2-methyl-1,3-benzoxazol-3-ium IUPAC Name: 3-docosyl-2-methyl-1,3-benzoxazol-3-ium Traditional Name: 3-behenyl-2-methyl-1,3-benzoxazol-3-ium Formula: C30H52NO+ MolecularWeight: 442.73998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H52NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-31-28(2)32-30-26-23-22-25-29(30)31/h22-23,25-26H,3-21,24,27H2,1-2H3/q+1