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

Systemtic Name: sodium; aziridine-2-carboxylic acid; 1,4-bis(azanyl)-2,5-diphenyl-pentan-3-one; methanal Openeye Name: sodium; aziridine-2-carboxylic acid; 1,4-diamino-2,5-diphenyl-pentan-3-one; formaldehyde CAS Name: sodium; 2-aziridinecarboxylic acid; 1,4-diamino-2,5-diphenyl-3-pentanone; formaldehyde IUPAC Name: sodium; aziridine-2-carboxylic acid; 1,4-diamino-2,5-diphenylpentan-3-one; formaldehyde Traditional Name: sodium; 1,4-diamino-2,5-diphenyl-pentan-3-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C21H27N3NaO4+ MolecularWeight: 408.44655

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1C(N1)C(=O)O.C1=CC=C(C=C1)CC(C(=O)C(CN)C2=CC=CC=C2)N.[Na+]

Isomeric SMILES

C=O.C1C(N1)C(=O)O.C1=CC=C(C=C1)CC(C(=O)C(CN)C2=CC=CC=C2)N.[Na+]

InChI

InChI=1S/C17H20N2O.C3H5NO2.CH2O.Na/c18-12-15(14-9-5-2-6-10-14)17(20)16(19)11-13-7-3-1-4-8-13;5-3(6)2-1-4-2;1-2;/h1-10,15-16H,11-12,18-19H2;2,4H,1H2,(H,5,6);1H2;/q;;;+1