[[(2R)-1,2,5-trimethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl]amino] 4-bromanylbenzoate

Systemtic Name: [[(2R)-1,2,5-trimethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl]amino] 4-bromanylbenzoate Openeye Name: [[(2R)-1,2,5-trimethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl]amino] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [[(2R)-1,2,5-trimethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl]amino] ester IUPAC Name: [[(2R)-1,2,5-trimethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl]amino] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [[(2R)-1,2,5-trimethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl]amino] ester Formula: C15H20BrN2O2+ MolecularWeight: 340.2355

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C(C[NH+]1C)C)NOC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H]1CC(=C(C[NH+]1C)C)NOC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H19BrN2O2/c1-10-9-18(3)11(2)8-14(10)17-20-15(19)12-4-6-13(16)7-5-12/h4-7,11,17H,8-9H2,1-3H3/p+1/t11-/m1/s1