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

Systemtic Name: sodium; 4-azanyl-1-(methylamino)-2,5-diphenyl-pentan-3-one; aziridine-2-carboxylic acid; methanal Openeye Name: sodium; 4-amino-1-(methylamino)-2,5-diphenyl-pentan-3-one; aziridine-2-carboxylic acid; formaldehyde CAS Name: sodium; 4-amino-1-(methylamino)-2,5-diphenyl-3-pentanone; 2-aziridinecarboxylic acid; formaldehyde IUPAC Name: sodium; 4-amino-1-(methylamino)-2,5-diphenylpentan-3-one; aziridine-2-carboxylic acid; formaldehyde Traditional Name: sodium; 4-amino-1-(methylamino)-2,5-diphenyl-pentan-3-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C22H29N3NaO4+ MolecularWeight: 422.47313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC(C1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)N.C=O.C1C(N1)C(=O)O.[Na+]

Isomeric SMILES

CNCC(C1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)N.C=O.C1C(N1)C(=O)O.[Na+]

InChI

InChI=1S/C18H22N2O.C3H5NO2.CH2O.Na/c1-20-13-16(15-10-6-3-7-11-15)18(21)17(19)12-14-8-4-2-5-9-14;5-3(6)2-1-4-2;1-2;/h2-11,16-17,20H,12-13,19H2,1H3;2,4H,1H2,(H,5,6);1H2;/q;;;+1