sodium; 1,4-bis(azanyl)-2,5-diphenyl-pentan-3-one; methanal; 1-methylaziridine-2-carboxylic acid

Systemtic Name: sodium; 1,4-bis(azanyl)-2,5-diphenyl-pentan-3-one; methanal; 1-methylaziridine-2-carboxylic acid Openeye Name: sodium; 1,4-diamino-2,5-diphenyl-pentan-3-one; formaldehyde; 1-methylaziridine-2-carboxylic acid CAS Name: sodium; 1,4-diamino-2,5-diphenyl-3-pentanone; formaldehyde; 1-methyl-2-aziridinecarboxylic acid IUPAC Name: sodium; 1,4-diamino-2,5-diphenylpentan-3-one; formaldehyde; 1-methylaziridine-2-carboxylic acid Traditional Name: sodium; 1,4-diamino-2,5-diphenyl-pentan-3-one; formaldehyde; 1-methylethylenimine-2-carboxylic acid Formula: C22H29N3NaO4+ MolecularWeight: 422.47313

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC1C(=O)O.C=O.C1=CC=C(C=C1)CC(C(=O)C(CN)C2=CC=CC=C2)N.[Na+]

Isomeric SMILES

CN1CC1C(=O)O.C=O.C1=CC=C(C=C1)CC(C(=O)C(CN)C2=CC=CC=C2)N.[Na+]

InChI

InChI=1S/C17H20N2O.C4H7NO2.CH2O.Na/c18-12-15(14-9-5-2-6-10-14)17(20)16(19)11-13-7-3-1-4-8-13;1-5-2-3(5)4(6)7;1-2;/h1-10,15-16H,11-12,18-19H2;3H,2H2,1H3,(H,6,7);1H2;/q;;;+1