2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(1-ethyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 2-(1-ethylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C23H30BrNO3 MolecularWeight: 448.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

CC[N+]1(CCCCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C23H30NO3.BrH/c1-2-24(16-10-5-11-17-24)18-19-27-22(25)23(26,20-12-6-3-7-13-20)21-14-8-4-9-15-21;/h3-4,6-9,12-15,26H,2,5,10-11,16-19H2,1H3;1H/q+1;/p-1