(2S)-1-[(2S)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butanoyl]pyrrolidine-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)[O-])[NH+]2CCN(CC2)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])[NH+]2CCN(CC2)C

InChI

InChI=1S/C15H27N3O3/c1-11(2)13(17-9-7-16(3)8-10-17)14(19)18-6-4-5-12(18)15(20)21/h11-13H,4-10H2,1-3H3,(H,20,21)/t12-,13-/m0/s1