(2S)-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]butanoate

Systemtic Name: (2S)-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-2-[(2-isopropylquinazolin-4-yl)ammonio]butanoate CAS Name: (2S)-2-[(2-propan-2-yl-4-quinazolinyl)ammonio]butanoate IUPAC Name: (2S)-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-2-[(2-isopropylquinazolin-4-yl)ammonio]butyrate Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2/c1-4-11(15(19)20)16-14-10-7-5-6-8-12(10)17-13(18-14)9(2)3/h5-9,11H,4H2,1-3H3,(H,19,20)(H,16,17,18)/t11-/m0/s1