(3S)-1-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-acetylpiperazino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C14H23N3O4 MolecularWeight: 297.35012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C14H23N3O4/c1-11(18)16-5-7-17(8-6-16)13(19)10-15-4-2-3-12(9-15)14(20)21/h12H,2-10H2,1H3,(H,20,21)/t12-/m0/s1