(2R)-4-[(2-bromophenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(2-bromophenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(2-bromoanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(2-bromoanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(2-bromoanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(2-bromoanilino)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C15H19BrN2O3 MolecularWeight: 355.22696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)NC2=CC=CC=C2Br)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CC(=O)NC2=CC=CC=C2Br)C(=O)[O-]

InChI

InChI=1S/C15H19BrN2O3/c16-11-6-2-3-7-12(11)17-14(19)10-13(15(20)21)18-8-4-1-5-9-18/h2-3,6-7,13H,1,4-5,8-10H2,(H,17,19)(H,20,21)/t13-/m1/s1