3-oxidanyl-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride

Systemtic Name: 3-oxidanyl-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride Openeye Name: 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride CAS Name: 3-hydroxy-2-(4-quinazolin-3-iumylamino)propanoic acid chloride IUPAC Name: 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propanoic acid chloride Traditional Name: 3-hydroxy-2-(quinazolin-3-ium-4-ylamino)propionic acid chloride Formula: C11H12ClN3O3 MolecularWeight: 269.68428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=[NH+]C=N2)NC(CO)C(=O)O.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=[NH+]C=N2)NC(CO)C(=O)O.[Cl-]

InChI

InChI=1S/C11H11N3O3.ClH/c15-5-9(11(16)17)14-10-7-3-1-2-4-8(7)12-6-13-10;/h1-4,6,9,15H,5H2,(H,16,17)(H,12,13,14);1H