hydrogen sulfate; 3-methyl-4-morpholin-4-ium-4-yl-2,2-diphenyl-butanoic acid

Systemtic Name: hydrogen sulfate; 3-methyl-4-morpholin-4-ium-4-yl-2,2-diphenyl-butanoic acid Openeye Name: hydrogen sulfate; 3-methyl-4-morpholin-4-ium-4-yl-2,2-diphenyl-butanoic acid CAS Name: hydrogen sulfate; 3-methyl-4-(4-morpholin-4-iumyl)-2,2-diphenylbutanoic acid IUPAC Name: hydrogen sulfate; 3-methyl-4-morpholin-4-ium-4-yl-2,2-diphenylbutanoic acid Traditional Name: 3-methyl-4-morpholin-4-ium-4-yl-2,2-diphenyl-butyric acid bisulfate Formula: C21H27NO7S MolecularWeight: 437.50658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

CC(C[NH+]1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C21H25NO3.H2O4S/c1-17(16-22-12-14-25-15-13-22)21(20(23)24,18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-5(2,3)4/h2-11,17H,12-16H2,1H3,(H,23,24);(H2,1,2,3,4)