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

Systemtic Name: sodium; 4-(aminomethyl)-2-azanyl-5-methyl-1-phenyl-hexan-3-one; methanal; 1-methanoylaziridine-2-carboxylic acid Openeye Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-hexan-3-one; formaldehyde; 1-formylaziridine-2-carboxylic acid CAS Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-3-hexanone; formaldehyde; 1-formyl-2-aziridinecarboxylic acid IUPAC Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenylhexan-3-one; formaldehyde; 1-formylaziridine-2-carboxylic acid Traditional Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-hexan-3-one; formaldehyde; 1-formylethylenimine-2-carboxylic acid Formula: C19H29N3NaO5+ MolecularWeight: 402.44043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN)C(=O)C(CC1=CC=CC=C1)N.C=O.C1C(N1C=O)C(=O)O.[Na+]

Isomeric SMILES

CC(C)C(CN)C(=O)C(CC1=CC=CC=C1)N.C=O.C1C(N1C=O)C(=O)O.[Na+]

InChI

InChI=1S/C14H22N2O.C4H5NO3.CH2O.Na/c1-10(2)12(9-15)14(17)13(16)8-11-6-4-3-5-7-11;6-2-5-1-3(5)4(7)8;1-2;/h3-7,10,12-13H,8-9,15-16H2,1-2H3;2-3H,1H2,(H,7,8);1H2;/q;;;+1