(2S)-2-(quinazolin-4-ylazaniumyl)butanoate

Systemtic Name: (2S)-2-(quinazolin-4-ylazaniumyl)butanoate Openeye Name: (2S)-2-(quinazolin-4-ylammonio)butanoate CAS Name: (2S)-2-(4-quinazolinylammonio)butanoate IUPAC Name: (2S)-2-(quinazolin-4-ylazaniumyl)butanoate Traditional Name: (2S)-2-(quinazolin-4-ylammonio)butyrate Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]C1=NC=NC2=CC=CC=C21

Isomeric SMILES

CC[C@@H](C(=O)[O-])[NH2+]C1=NC=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)/t9-/m0/s1