[4,4,6-trimethyl-2-(phenylmethyl)-5H-1,3-oxazin-3-ium-6-yl] ethanoate perchlorate

Systemtic Name: [4,4,6-trimethyl-2-(phenylmethyl)-5H-1,3-oxazin-3-ium-6-yl] ethanoate perchlorate Openeye Name: (2-benzyl-4,4,6-trimethyl-5H-1,3-oxazin-3-ium-6-yl) acetate perchlorate CAS Name: acetic acid [4,4,6-trimethyl-2-(phenylmethyl)-5H-1,3-oxazin-3-ium-6-yl] ester perchlorate IUPAC Name: (2-benzyl-4,4,6-trimethyl-5H-1,3-oxazin-3-ium-6-yl) acetate perchlorate Traditional Name: acetic acid (2-benzyl-4,4,6-trimethyl-5H-1,3-oxazin-3-ium-6-yl) ester perchlorate Formula: C16H22ClNO7 MolecularWeight: 375.80138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CC([NH+]=C(O1)CC2=CC=CC=C2)(C)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(=O)OC1(CC([NH+]=C(O1)CC2=CC=CC=C2)(C)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H21NO3.ClHO4/c1-12(18)19-16(4)11-15(2,3)17-14(20-16)10-13-8-6-5-7-9-13;2-1(3,4)5/h5-9H,10-11H2,1-4H3;(H,2,3,4,5)