4-methyl-4-[3-[4-(phenoxymethyl)phenyl]propyl]morpholin-4-ium; methyl sulfate

Systemtic Name: 4-methyl-4-[3-[4-(phenoxymethyl)phenyl]propyl]morpholin-4-ium; methyl sulfate Openeye Name: 4-methyl-4-[3-[4-(phenoxymethyl)phenyl]propyl]morpholin-4-ium; methyl sulfate CAS Name: 4-methyl-4-[3-[4-(phenoxymethyl)phenyl]propyl]morpholin-4-ium; methyl sulfate IUPAC Name: 4-methyl-4-[3-[4-(phenoxymethyl)phenyl]propyl]morpholin-4-ium; methyl sulfate Traditional Name: 4-methyl-4-[3-[4-(phenoxymethyl)phenyl]propyl]morpholin-4-ium; methyl sulfate Formula: C22H31NO6S MolecularWeight: 437.54964

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCCC2=CC=C(C=C2)COC3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCOCC1)CCCC2=CC=C(C=C2)COC3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H28NO2.CH4O4S/c1-22(14-16-23-17-15-22)13-5-6-19-9-11-20(12-10-19)18-24-21-7-3-2-4-8-21;1-5-6(2,3)4/h2-4,7-12H,5-6,13-18H2,1H3;1H3,(H,2,3,4)/q+1;/p-1