[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-keto-ethyl] ester Formula: C17H17BrN2O4 MolecularWeight: 393.23188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C17H17BrN2O4/c1-2-15(12-3-5-14(18)6-4-12)19-16(21)11-24-17(22)13-7-9-20(23)10-8-13/h3-10,15H,2,11H2,1H3,(H,19,21)/t15-/m1/s1