methyl 2-[(2S)-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[2-(cyclohexylamino)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[2-(cyclohexylamino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-1-[2-(cyclohexylamino)-2-keto-ethyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C15H26N3O4+ MolecularWeight: 312.38464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC2CCCCC2

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCC[NH+]1CC(=O)NC2CCCCC2

InChI

InChI=1S/C15H25N3O4/c1-22-14(20)9-12-15(21)16-7-8-18(12)10-13(19)17-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,16,21)(H,17,19)/p+1/t12-/m0/s1