sodium 3-[[4-methyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: sodium 3-[[4-methyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: sodium 3-[[3-methyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]butyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium 3-[[[4-methyl-1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]pentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium 3-[[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium 3-[[3-methyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]butyl]carbamoyl]oxirane-2-carboxylate Formula: C19H25N4NaO5 MolecularWeight: 412.41537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC(=O)C3C(O3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC(=O)C3C(O3)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H26N4O5.Na/c1-12(2)11-13(21-17(24)15-16(28-15)19(26)27)18(25)23-9-7-22(8-10-23)14-5-3-4-6-20-14;/h3-6,12-13,15-16H,7-11H2,1-2H3,(H,21,24)(H,26,27);/q;+1/p-1