sodium; 4-(aminomethyl)-2-azanyl-5-methyl-1-phenyl-hexan-3-one; 1-ethanoylaziridine-2-carboxylic acid; methanal

Systemtic Name: sodium; 4-(aminomethyl)-2-azanyl-5-methyl-1-phenyl-hexan-3-one; 1-ethanoylaziridine-2-carboxylic acid; methanal Openeye Name: sodium; 1-acetylaziridine-2-carboxylic acid; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-hexan-3-one; formaldehyde CAS Name: sodium; 1-acetyl-2-aziridinecarboxylic acid; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-3-hexanone; formaldehyde IUPAC Name: sodium; 1-acetylaziridine-2-carboxylic acid; 2-amino-4-(aminomethyl)-5-methyl-1-phenylhexan-3-one; formaldehyde Traditional Name: sodium; 1-acetylethylenimine-2-carboxylic acid; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-hexan-3-one; formaldehyde Formula: C20H31N3NaO5+ MolecularWeight: 416.46701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN)C(=O)C(CC1=CC=CC=C1)N.CC(=O)N1CC1C(=O)O.C=O.[Na+]

Isomeric SMILES

CC(C)C(CN)C(=O)C(CC1=CC=CC=C1)N.CC(=O)N1CC1C(=O)O.C=O.[Na+]

InChI

InChI=1S/C14H22N2O.C5H7NO3.CH2O.Na/c1-10(2)12(9-15)14(17)13(16)8-11-6-4-3-5-7-11;1-3(7)6-2-4(6)5(8)9;1-2;/h3-7,10,12-13H,8-9,15-16H2,1-2H3;4H,2H2,1H3,(H,8,9);1H2;/q;;;+1