methyl (2R)-2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-2-(2-chlorophenyl)ethanoate

Systemtic Name: methyl (2R)-2-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-2-(2-chlorophenyl)ethanoate Openeye Name: methyl (2R)-2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-2-(2-chlorophenyl)acetate CAS Name: (2R)-2-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl (2R)-2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-ium-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: (2R)-2-[4-(5-bromonicotinoyl)piperazin-1-ium-1-yl]-2-(2-chlorophenyl)acetic acid methyl ester Formula: C19H20BrClN3O3+ MolecularWeight: 453.7374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C19H19BrClN3O3/c1-27-19(26)17(15-4-2-3-5-16(15)21)23-6-8-24(9-7-23)18(25)13-10-14(20)12-22-11-13/h2-5,10-12,17H,6-9H2,1H3/p+1/t17-/m1/s1