2-piperidin-1-ium-1-ylethyl 3,5-bis(bromanyl)benzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 3,5-bis(bromanyl)benzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 3,5-dibromobenzoate CAS Name: 3,5-dibromobenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 3,5-dibromobenzoate Traditional Name: 3,5-dibromobenzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C14H18Br2NO2+ MolecularWeight: 392.10622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Br2NO2/c15-12-8-11(9-13(16)10-12)14(18)19-7-6-17-4-2-1-3-5-17/h8-10H,1-7H2/p+1