diethyl 2-acetamido-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]malonic acid diethyl ester Formula: C21H32N3O6+ MolecularWeight: 422.49528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H31N3O6/c1-5-29-19(26)21(22-16(3)25,20(27)30-6-2)15-23-11-13-24(14-12-23)17-7-9-18(28-4)10-8-17/h7-10H,5-6,11-15H2,1-4H3,(H,22,25)/p+1