methyl (2R)-2-[[(2S)-1-morpholin-4-ylcarbonyl-4-piperidin-1-ium-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-1-morpholin-4-ylcarbonyl-4-piperidin-1-ium-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(morpholine-4-carbonyl)-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-1-[4-morpholinyl(oxo)methyl]-4-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(morpholine-4-carbonyl)-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-(morpholine-4-carbonyl)-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C20H34N5O6+ MolecularWeight: 440.51386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)N2CCOCC2)C(=O)C3CC[NH2+]CC3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1CN(CCN1C(=O)N2CCOCC2)C(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C20H33N5O6/c1-14(19(28)30-2)22-17(26)16-13-24(18(27)15-3-5-21-6-4-15)7-8-25(16)20(29)23-9-11-31-12-10-23/h14-16,21H,3-13H2,1-2H3,(H,22,26)/p+1/t14-,16+/m1/s1