dimethyl (2S)-2-(4-methylpiperazin-4-ium-1-yl)butanedioate

Systemtic Name: dimethyl (2S)-2-(4-methylpiperazin-4-ium-1-yl)butanedioate Openeye Name: dimethyl (2S)-2-(4-methylpiperazin-4-ium-1-yl)butanedioate CAS Name: (2S)-2-(4-methyl-1-piperazin-4-iumyl)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-(4-methylpiperazin-4-ium-1-yl)butanedioate Traditional Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)succinic acid dimethyl ester Formula: C11H21N2O4+ MolecularWeight: 245.29544

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CC(=O)OC)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](CC(=O)OC)C(=O)OC

InChI

InChI=1S/C11H20N2O4/c1-12-4-6-13(7-5-12)9(11(15)17-3)8-10(14)16-2/h9H,4-8H2,1-3H3/p+1/t9-/m0/s1