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

Systemtic Name: sodium 3-[[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: sodium 3-[[1-(4-ethylpiperazine-1-carbonyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium 3-[[[1-(4-ethyl-1-piperazinyl)-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium 3-[[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium 3-[[1-(4-ethylpiperazine-1-carbonyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate Formula: C16H26N3NaO5 MolecularWeight: 363.38451

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(CC(C)C)NC(=O)C2C(O2)C(=O)[O-].[Na+]

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(CC(C)C)NC(=O)C2C(O2)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H27N3O5.Na/c1-4-18-5-7-19(8-6-18)15(21)11(9-10(2)3)17-14(20)12-13(24-12)16(22)23;/h10-13H,4-9H2,1-3H3,(H,17,20)(H,22,23);/q;+1/p-1