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

Systemtic Name: (2R)-4-(4-bromophenyl)-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-bromophenyl)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-bromophenyl)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(4-bromophenyl)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C15H18BrNO3 MolecularWeight: 340.21232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C15H18BrNO3/c16-12-6-4-11(5-7-12)14(18)10-13(15(19)20)17-8-2-1-3-9-17/h4-7,13H,1-3,8-10H2,(H,19,20)/t13-/m1/s1