(2R)-4-(4-bromophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-bromophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(4-bromophenyl)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)butyrate Formula: C15H20BrN2O3+ MolecularWeight: 356.2349

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C15H19BrN2O3/c1-17-6-8-18(9-7-17)13(15(20)21)10-14(19)11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,20,21)/p+1/t13-/m1/s1