ethyl (3S)-1-[[(4S)-2,5-bis(oxidanylidene)-4-propyl-imidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[(4S)-2,5-bis(oxidanylidene)-4-propyl-imidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[(4S)-2,5-dioxo-4-propyl-imidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[(4S)-2,5-dioxo-4-propyl-1-imidazolidinyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[(4S)-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[(4S)-2,5-diketo-4-propyl-imidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H26N3O4+ MolecularWeight: 312.38464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C(=O)N1)C[NH+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCC[C@H]1C(=O)N(C(=O)N1)C[NH+]2CCC[C@@H](C2)C(=O)OCC

InChI

InChI=1S/C15H25N3O4/c1-3-6-12-13(19)18(15(21)16-12)10-17-8-5-7-11(9-17)14(20)22-4-2/h11-12H,3-10H2,1-2H3,(H,16,21)/p+1/t11-,12-/m0/s1