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

Systemtic Name: 2-(quinazolin-3-ium-4-ylamino)butanoic acid Openeye Name: 2-(quinazolin-3-ium-4-ylamino)butanoic acid CAS Name: 2-(4-quinazolin-3-iumylamino)butanoic acid IUPAC Name: 2-(quinazolin-3-ium-4-ylamino)butanoic acid Traditional Name: 2-(quinazolin-3-ium-4-ylamino)butyric acid Formula: C12H14N3O2+ MolecularWeight: 232.25846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2/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)/p+1