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

Systemtic Name: methyl 2-[(2S)-1-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[2-(1-adamantylamino)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(1-adamantylamino)-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[2-(1-adamantylamino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-1-[2-(1-adamantylamino)-2-keto-ethyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C19H30N3O4+ MolecularWeight: 364.4592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H29N3O4/c1-26-17(24)7-15-18(25)20-2-3-22(15)11-16(23)21-19-8-12-4-13(9-19)6-14(5-12)10-19/h12-15H,2-11H2,1H3,(H,20,25)(H,21,23)/p+1/t12?,13?,14?,15-,19?/m0/s1