methyl 2-[(2R)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[(5-bromo-2-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-(5-bromo-2-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C15H20BrN2O4+ MolecularWeight: 372.2343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCNC(=O)[C@H]2CC(=O)OC

InChI

InChI=1S/C15H19BrN2O4/c1-21-13-4-3-11(16)7-10(13)9-18-6-5-17-15(20)12(18)8-14(19)22-2/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,20)/p+1/t12-/m1/s1