(2S)-1-[4-(4-ethylpiperazin-4-ium-1-yl)butanoyl]pyrrolidine-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCCC(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCC(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C15H27N3O3/c1-2-16-9-11-17(12-10-16)7-4-6-14(19)18-8-3-5-13(18)15(20)21/h13H,2-12H2,1H3,(H,20,21)/t13-/m0/s1