2-(quinazolin-3-ium-4-ylamino)butanedioic acid chloride

Systemtic Name: 2-(quinazolin-3-ium-4-ylamino)butanedioic acid chloride Openeye Name: 2-(quinazolin-3-ium-4-ylamino)butanedioic acid chloride CAS Name: 2-(4-quinazolin-3-iumylamino)butanedioic acid chloride IUPAC Name: 2-(quinazolin-3-ium-4-ylamino)butanedioic acid chloride Traditional Name: 2-(quinazolin-3-ium-4-ylamino)succinic acid chloride Formula: C12H12ClN3O4 MolecularWeight: 297.69438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4.ClH/c16-10(17)5-9(12(18)19)15-11-7-3-1-2-4-8(7)13-6-14-11;/h1-4,6,9H,5H2,(H,16,17)(H,18,19)(H,13,14,15);1H