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

Systemtic Name: (2S)-1-[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-(4-methyl-1-piperazin-1-iumyl)-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-(4-methylpiperazin-1-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate Formula: C13H23N3O3 MolecularWeight: 269.34002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O3/c1-10(15-8-6-14(2)7-9-15)12(17)16-5-3-4-11(16)13(18)19/h10-11H,3-9H2,1-2H3,(H,18,19)/t10-,11-/m0/s1