(4-methylpyridin-1-ium-1-yl) bis(phenylmethyl) phosphate chloride

Systemtic Name: (4-methylpyridin-1-ium-1-yl) bis(phenylmethyl) phosphate chloride Openeye Name: dibenzyl (4-methylpyridin-1-ium-1-yl) phosphate chloride CAS Name: phosphoric acid (4-methyl-1-pyridin-1-iumyl) bis(phenylmethyl) ester chloride IUPAC Name: dibenzyl (4-methylpyridin-1-ium-1-yl) phosphate chloride Traditional Name: phosphoric acid dibenzyl (4-methylpyridin-1-ium-1-yl) ester chloride Formula: C20H21ClNO4P MolecularWeight: 405.811801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC=[N+](C=C1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H21NO4P.ClH/c1-18-12-14-21(15-13-18)25-26(22,23-16-19-8-4-2-5-9-19)24-17-20-10-6-3-7-11-20;/h2-15H,16-17H2,1H3;1H/q+1;/p-1