(2S)-1-[2,2-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2,2-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2,2-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2,2-dimethyl-3-(4-methyl-1-piperazin-4-iumyl)-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2,2-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2,2-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate Formula: C15H27N3O3 MolecularWeight: 297.39318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CC[NH+](CC1)C)C(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CC(C)(CN1CC[NH+](CC1)C)C(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C15H27N3O3/c1-15(2,11-17-9-7-16(3)8-10-17)14(21)18-6-4-5-12(18)13(19)20/h12H,4-11H2,1-3H3,(H,19,20)/t12-/m0/s1