(3S)-1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(4-bromoanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-bromoanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-bromoanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C14H17BrN2O3 MolecularWeight: 341.20038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C14H17BrN2O3/c15-11-3-5-12(6-4-11)16-13(18)9-17-7-1-2-10(8-17)14(19)20/h3-6,10H,1-2,7-9H2,(H,16,18)(H,19,20)/t10-/m0/s1