methyl (2R)-1-piperidin-1-ium-4-ylcarbonyl-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate

Systemtic Name: methyl (2R)-1-piperidin-1-ium-4-ylcarbonyl-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate Openeye Name: methyl (2R)-4-(isopropylcarbamoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate CAS Name: (2R)-1-[oxo(4-piperidin-1-iumyl)methyl]-4-[oxo-(propan-2-ylamino)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-(piperidin-1-ium-4-carbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate Traditional Name: (2R)-4-(isopropylcarbamoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylic acid methyl ester Formula: C16H29N4O4+ MolecularWeight: 341.42586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)OC)C(=O)C2CC[NH2+]CC2

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@H](C1)C(=O)OC)C(=O)C2CC[NH2+]CC2

InChI

InChI=1S/C16H28N4O4/c1-11(2)18-16(23)19-8-9-20(13(10-19)15(22)24-3)14(21)12-4-6-17-7-5-12/h11-13,17H,4-10H2,1-3H3,(H,18,23)/p+1/t13-/m1/s1