methyl 1-[2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]acetyl]isonipecotic acid methyl ester Formula: C20H34N3O4+ MolecularWeight: 380.50166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3CCCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3CCCCC3

InChI

InChI=1S/C20H33N3O4/c1-27-20(26)16-7-10-22(11-8-16)18(24)13-17-19(25)21-9-12-23(17)14-15-5-3-2-4-6-15/h15-17H,2-14H2,1H3,(H,21,25)/p+1/t17-/m1/s1