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

Systemtic Name: 2-(quinazolin-3-ium-4-ylamino)butanoic acid chloride Openeye Name: 2-(quinazolin-3-ium-4-ylamino)butanoic acid chloride CAS Name: 2-(4-quinazolin-3-iumylamino)butanoic acid chloride IUPAC Name: 2-(quinazolin-3-ium-4-ylamino)butanoic acid chloride Traditional Name: 2-(quinazolin-3-ium-4-ylamino)butyric acid chloride Formula: C12H14ClN3O2 MolecularWeight: 267.71146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=[NH+]C=NC2=CC=CC=C21.[Cl-]

Isomeric SMILES

CCC(C(=O)O)NC1=[NH+]C=NC2=CC=CC=C21.[Cl-]

InChI

InChI=1S/C12H13N3O2.ClH/c1-2-9(12(16)17)15-11-8-5-3-4-6-10(8)13-7-14-11;/h3-7,9H,2H2,1H3,(H,16,17)(H,13,14,15);1H