sodium; 2-azanyl-1-(2-azanylcyclohexyl)-3-phenyl-propan-1-one; aziridine-2-carboxylic acid; methanal

Systemtic Name: sodium; 2-azanyl-1-(2-azanylcyclohexyl)-3-phenyl-propan-1-one; aziridine-2-carboxylic acid; methanal Openeye Name: sodium; 2-amino-1-(2-aminocyclohexyl)-3-phenyl-propan-1-one; aziridine-2-carboxylic acid; formaldehyde CAS Name: sodium; 2-amino-1-(2-aminocyclohexyl)-3-phenyl-1-propanone; 2-aziridinecarboxylic acid; formaldehyde IUPAC Name: sodium; 2-amino-1-(2-aminocyclohexyl)-3-phenylpropan-1-one; aziridine-2-carboxylic acid; formaldehyde Traditional Name: sodium; 2-amino-1-(2-aminocyclohexyl)-3-phenyl-propan-1-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C19H29N3NaO4+ MolecularWeight: 386.44103

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1CCC(C(C1)C(=O)C(CC2=CC=CC=C2)N)N.C1C(N1)C(=O)O.[Na+]

Isomeric SMILES

C=O.C1CCC(C(C1)C(=O)C(CC2=CC=CC=C2)N)N.C1C(N1)C(=O)O.[Na+]

InChI

InChI=1S/C15H22N2O.C3H5NO2.CH2O.Na/c16-13-9-5-4-8-12(13)15(18)14(17)10-11-6-2-1-3-7-11;5-3(6)2-1-4-2;1-2;/h1-3,6-7,12-14H,4-5,8-10,16-17H2;2,4H,1H2,(H,5,6);1H2;/q;;;+1