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

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate Openeye Name: 3-piperidin-1-ium-1-ylpropyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 3-(1-piperidin-1-iumyl)propyl ester IUPAC Name: 3-piperidin-1-ium-1-ylpropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate Traditional Name: 2,2-bis(4-bromophenyl)-2-hydroxy-acetic acid 3-piperidin-1-ium-1-ylpropyl ester Formula: C22H26Br2NO3+ MolecularWeight: 512.25474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Br2NO3/c23-19-9-5-17(6-10-19)22(27,18-7-11-20(24)12-8-18)21(26)28-16-4-15-25-13-2-1-3-14-25/h5-12,27H,1-4,13-16H2/p+1