ethyl 4-oxidanyloctyl hydrogen phosphite; 1-methyl-4-phenyl-piperazin-1-ium

Systemtic Name: ethyl 4-oxidanyloctyl hydrogen phosphite; 1-methyl-4-phenyl-piperazin-1-ium Openeye Name: ethyl 4-hydroxyoctyl hydrogen phosphite; 1-methyl-4-phenyl-piperazin-1-ium CAS Name: ethyl 4-hydroxyoctyl hydrogen phosphite; 1-methyl-4-phenylpiperazin-1-ium IUPAC Name: ethyl 4-hydroxyoctyl hydrogen phosphite; 1-methyl-4-phenylpiperazin-1-ium Traditional Name: ethyl 4-hydroxyoctyl hydrogen phosphite; 1-methyl-4-phenyl-piperazin-1-ium Formula: C21H40N2O4P+ MolecularWeight: 415.527061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCOP(O)OCC)O.C[NH+]1CCN(CC1)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CCCOP(O)OCC)O.C[NH+]1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C11H16N2.C10H23O4P/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-3-5-7-10(11)8-6-9-14-15(12)13-4-2/h2-6H,7-10H2,1H3;10-12H,3-9H2,1-2H3/p+1