sodium; 2,3-bis(azanyl)propanoic acid; N-(4-dimethylaminophenyl)iminosulfamate

Systemtic Name: sodium; 2,3-bis(azanyl)propanoic acid; N-(4-dimethylaminophenyl)iminosulfamate Openeye Name: sodium; 2,3-diaminopropanoic acid; N-(4-dimethylaminophenyl)iminosulfamate CAS Name: sodium; 2,3-diaminopropanoic acid; N-(4-dimethylaminophenyl)iminosulfamate IUPAC Name: sodium; 2,3-diaminopropanoic acid; N-(4-dimethylaminophenyl)iminosulfamate Traditional Name: sodium; 2,3-diaminopropionic acid; N-(4-dimethylaminophenyl)iminosulfamate Formula: C11H18N5NaO5S MolecularWeight: 355.34589

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].C(C(C(=O)O)N)N.[Na+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].C(C(C(=O)O)N)N.[Na+]

InChI

InChI=1S/C8H11N3O3S.C3H8N2O2.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;4-1-2(5)3(6)7;/h3-6H,1-2H3,(H,12,13,14);2H,1,4-5H2,(H,6,7);/q;;+1/p-1