sodium 3-[(4-methyl-1-morpholin-4-yl-1-oxidanylidene-pentan-2-yl)carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: sodium 3-[(4-methyl-1-morpholin-4-yl-1-oxidanylidene-pentan-2-yl)carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[3-methyl-1-(morpholine-4-carbonyl)butyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[[[4-methyl-1-(4-morpholinyl)-1-oxopentan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[3-methyl-1-(morpholine-4-carbonyl)butyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C14H23N3NaO5+ MolecularWeight: 336.33929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCOCC1)NC(=O)C2C(N2)C(=O)O.[Na+]

Isomeric SMILES

CC(C)CC(C(=O)N1CCOCC1)NC(=O)C2C(N2)C(=O)O.[Na+]

InChI

InChI=1S/C14H23N3O5.Na/c1-8(2)7-9(13(19)17-3-5-22-6-4-17)15-12(18)10-11(16-10)14(20)21;/h8-11,16H,3-7H2,1-2H3,(H,15,18)(H,20,21);/q;+1