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

Systemtic Name: sodium; 4-(aminomethyl)-2-azanyl-5-methyl-1-phenyl-hexan-3-one; methanal; 1-methylaziridine-2-carboxylic acid Openeye Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-hexan-3-one; formaldehyde; 1-methylaziridine-2-carboxylic acid CAS Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-3-hexanone; formaldehyde; 1-methyl-2-aziridinecarboxylic acid IUPAC Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenylhexan-3-one; formaldehyde; 1-methylaziridine-2-carboxylic acid Traditional Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-hexan-3-one; formaldehyde; 1-methylethylenimine-2-carboxylic acid Formula: C19H31N3NaO4+ MolecularWeight: 388.45691

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN)C(=O)C(CC1=CC=CC=C1)N.CN1CC1C(=O)O.C=O.[Na+]

Isomeric SMILES

CC(C)C(CN)C(=O)C(CC1=CC=CC=C1)N.CN1CC1C(=O)O.C=O.[Na+]

InChI

InChI=1S/C14H22N2O.C4H7NO2.CH2O.Na/c1-10(2)12(9-15)14(17)13(16)8-11-6-4-3-5-7-11;1-5-2-3(5)4(6)7;1-2;/h3-7,10,12-13H,8-9,15-16H2,1-2H3;3H,2H2,1H3,(H,6,7);1H2;/q;;;+1