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

Systemtic Name: sodium; aziridine-2-carboxylic acid; 1,4-bis(azanyl)-2-(butoxymethyl)-5-phenyl-pentan-3-one; methanal Openeye Name: sodium; aziridine-2-carboxylic acid; 1,4-diamino-2-(butoxymethyl)-5-phenyl-pentan-3-one; formaldehyde CAS Name: sodium; 2-aziridinecarboxylic acid; 1,4-diamino-2-(butoxymethyl)-5-phenyl-3-pentanone; formaldehyde IUPAC Name: sodium; aziridine-2-carboxylic acid; 1,4-diamino-2-(butoxymethyl)-5-phenylpentan-3-one; formaldehyde Traditional Name: sodium; 1,4-diamino-2-(butoxymethyl)-5-phenyl-pentan-3-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C20H33N3NaO5+ MolecularWeight: 418.48289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2.C3H5NO2.CH2O.Na/c1-2-3-9-20-12-14(11-17)16(19)15(18)10-13-7-5-4-6-8-13;5-3(6)2-1-4-2;1-2;/h4-8,14-15H,2-3,9-12,17-18H2,1H3;2,4H,1H2,(H,5,6);1H2;/q;;;+1