dimethyl 5-[[(2S)-4-methoxy-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(2S)-4-methoxy-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(2S)-4-methoxy-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-butanoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-4-methoxy-2-(4-methyl-1-piperazin-1-iumyl)-1,4-dioxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(2S)-4-methoxy-2-(4-methylpiperazin-1-ium-1-yl)-4-oxobutanoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(2S)-4-keto-4-methoxy-2-(4-methylpiperazin-1-ium-1-yl)butanoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H28N3O7+ MolecularWeight: 422.45222

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C(CC(=O)OC)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1CC[NH+](CC1)[C@@H](CC(=O)OC)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H27N3O7/c1-22-5-7-23(8-6-22)16(12-17(24)28-2)18(25)21-15-10-13(19(26)29-3)9-14(11-15)20(27)30-4/h9-11,16H,5-8,12H2,1-4H3,(H,21,25)/p+1/t16-/m0/s1