2-piperidin-1-ium-1-ylethyl 4-bromanylbenzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 4-bromanylbenzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C14H19BrNO2+ MolecularWeight: 313.21016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO2/c15-13-6-4-12(5-7-13)14(17)18-11-10-16-8-2-1-3-9-16/h4-7H,1-3,8-11H2/p+1