methyl 2-[(2R)-1-[(3-bromophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[(3-bromophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[(3-bromophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(3-bromophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[(3-bromophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-(3-bromobenzyl)-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C14H18BrN2O3+ MolecularWeight: 342.20832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H17BrN2O3/c1-20-13(18)8-12-14(19)16-5-6-17(12)9-10-3-2-4-11(15)7-10/h2-4,7,12H,5-6,8-9H2,1H3,(H,16,19)/p+1/t12-/m1/s1