[(E)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] 4-bromanylbenzoate

Systemtic Name: [(E)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] 4-bromanylbenzoate Openeye Name: [(E)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(E)-[(2S,5S)-1,2,5-trimethyl-4-piperidin-1-iumylidene]amino] ester IUPAC Name: [(E)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(E)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] ester Formula: C15H20BrN2O2+ MolecularWeight: 340.2355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1C/C(=N\OC(=O)C2=CC=C(C=C2)Br)/[C@H](C[NH+]1C)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/h4-7,10-11H,8-9H2,1-3H3/p+1/b17-14+/t10-,11-/m0/s1