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

Systemtic Name: sodium; 2-azanyl-1-(1-azanyl-2-adamantyl)-3-phenyl-propan-1-one; aziridine-2-carboxylic acid; methanal Openeye Name: sodium; 2-amino-1-(1-amino-2-adamantyl)-3-phenyl-propan-1-one; aziridine-2-carboxylic acid; formaldehyde CAS Name: sodium; 2-amino-1-(1-amino-2-adamantyl)-3-phenyl-1-propanone; 2-aziridinecarboxylic acid; formaldehyde IUPAC Name: sodium; 2-amino-1-(1-amino-2-adamantyl)-3-phenylpropan-1-one; aziridine-2-carboxylic acid; formaldehyde Traditional Name: sodium; 2-amino-1-(1-amino-2-adamantyl)-3-phenyl-propan-1-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C23H33N3NaO4+ MolecularWeight: 438.51559

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1C2CC3CC1CC(C2)(C3C(=O)C(CC4=CC=CC=C4)N)N.C1C(N1)C(=O)O.[Na+]

Isomeric SMILES

C=O.C1C2CC3CC1CC(C2)(C3C(=O)C(CC4=CC=CC=C4)N)N.C1C(N1)C(=O)O.[Na+]

InChI

InChI=1S/C19H26N2O.C3H5NO2.CH2O.Na/c20-16(9-12-4-2-1-3-5-12)18(22)17-15-7-13-6-14(8-15)11-19(17,21)10-13;5-3(6)2-1-4-2;1-2;/h1-5,13-17H,6-11,20-21H2;2,4H,1H2,(H,5,6);1H2;/q;;;+1