sodium; aziridine-2-carboxylic acid; 1,4-bis(azanyl)-2-(methoxymethyl)-5-phenyl-pentan-3-one; methanal

Systemtic Name: sodium; aziridine-2-carboxylic acid; 1,4-bis(azanyl)-2-(methoxymethyl)-5-phenyl-pentan-3-one; methanal Openeye Name: sodium; aziridine-2-carboxylic acid; 1,4-diamino-2-(methoxymethyl)-5-phenyl-pentan-3-one; formaldehyde CAS Name: sodium; 2-aziridinecarboxylic acid; 1,4-diamino-2-(methoxymethyl)-5-phenyl-3-pentanone; formaldehyde IUPAC Name: sodium; aziridine-2-carboxylic acid; 1,4-diamino-2-(methoxymethyl)-5-phenylpentan-3-one; formaldehyde Traditional Name: sodium; 1,4-diamino-2-(methoxymethyl)-5-phenyl-pentan-3-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C17H27N3NaO5+ MolecularWeight: 376.40315

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CN)C(=O)C(CC1=CC=CC=C1)N.C=O.C1C(N1)C(=O)O.[Na+]

Isomeric SMILES

COCC(CN)C(=O)C(CC1=CC=CC=C1)N.C=O.C1C(N1)C(=O)O.[Na+]

InChI

InChI=1S/C13H20N2O2.C3H5NO2.CH2O.Na/c1-17-9-11(8-14)13(16)12(15)7-10-5-3-2-4-6-10;5-3(6)2-1-4-2;1-2;/h2-6,11-12H,7-9,14-15H2,1H3;2,4H,1H2,(H,5,6);1H2;/q;;;+1