methyl 2-[(2R)-1-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[2-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-[2-[(4-benzoxy-3-methoxy-benzyl)amino]-2-keto-ethyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C24H30N3O6+ MolecularWeight: 456.5115

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCNC(=O)C2CC(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCNC(=O)[C@H]2CC(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O6/c1-31-21-12-18(8-9-20(21)33-16-17-6-4-3-5-7-17)14-26-22(28)15-27-11-10-25-24(30)19(27)13-23(29)32-2/h3-9,12,19H,10-11,13-16H2,1-2H3,(H,25,30)(H,26,28)/p+1/t19-/m1/s1