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

Systemtic Name: sodium; 4-(aminomethyl)-2-azanyl-5-methyl-1-phenyl-hexan-3-one; aziridine-2-carboxylic acid; methanal Openeye Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-hexan-3-one; aziridine-2-carboxylic acid; formaldehyde CAS Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-3-hexanone; 2-aziridinecarboxylic acid; formaldehyde IUPAC Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenylhexan-3-one; aziridine-2-carboxylic acid; formaldehyde Traditional Name: sodium; 2-amino-4-(aminomethyl)-5-methyl-1-phenyl-hexan-3-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C18H29N3NaO4+ MolecularWeight: 374.43033

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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(N1)C(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O.C3H5NO2.CH2O.Na/c1-10(2)12(9-15)14(17)13(16)8-11-6-4-3-5-7-11;5-3(6)2-1-4-2;1-2;/h3-7,10,12-13H,8-9,15-16H2,1-2H3;2,4H,1H2,(H,5,6);1H2;/q;;;+1