(2R)-4-[[2,6-bis(chloranyl)phenyl]amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[[2,6-bis(chloranyl)phenyl]amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(2,6-dichloroanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(2,6-dichloroanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(2,6-dichloroanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(2,6-dichloroanilino)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C15H18Cl2N2O3 MolecularWeight: 345.22102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)NC2=C(C=CC=C2Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CC(=O)NC2=C(C=CC=C2Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C15H18Cl2N2O3/c16-10-5-4-6-11(17)14(10)18-13(20)9-12(15(21)22)19-7-2-1-3-8-19/h4-6,12H,1-3,7-9H2,(H,18,20)(H,21,22)/t12-/m1/s1