2-piperidin-1-ium-1-ylethyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate Traditional Name: 2,2-bis(4-bromophenyl)-2-hydroxy-acetic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C21H24Br2NO3+ MolecularWeight: 498.22816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H23Br2NO3/c22-18-8-4-16(5-9-18)21(26,17-6-10-19(23)11-7-17)20(25)27-15-14-24-12-2-1-3-13-24/h4-11,26H,1-3,12-15H2/p+1