(2,2-dimethyl-3-morpholin-4-ium-4-yl-propyl) 2,2-diphenylethanoate; hydrogen sulfate

Systemtic Name: (2,2-dimethyl-3-morpholin-4-ium-4-yl-propyl) 2,2-diphenylethanoate; hydrogen sulfate Openeye Name: (2,2-dimethyl-3-morpholin-4-ium-4-yl-propyl) 2,2-diphenylacetate; hydrogen sulfate CAS Name: 2,2-diphenylacetic acid [2,2-dimethyl-3-(4-morpholin-4-iumyl)propyl] ester; hydrogen sulfate IUPAC Name: (2,2-dimethyl-3-morpholin-4-ium-4-ylpropyl) 2,2-diphenylacetate; hydrogen sulfate Traditional Name: 2,2-diphenylacetic acid (2,2-dimethyl-3-morpholin-4-ium-4-yl-propyl) ester bisulfate Formula: C23H31NO7S MolecularWeight: 465.55974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3.H2O4S/c1-23(2,17-24-13-15-26-16-14-24)18-27-22(25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-5(2,3)4/h3-12,21H,13-18H2,1-2H3;(H2,1,2,3,4)