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

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

CC1C[NH+](C(C=C1NOC(=O)C2=CC=C(C=C2)Br)C)C

Isomeric SMILES

CC1C[NH+](C(C=C1NOC(=O)C2=CC=C(C=C2)Br)C)C

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/h4-8,10-11,17H,9H2,1-3H3/p+1