(2R)-2-[(6-ethylquinazolin-4-yl)azaniumyl]-3-methyl-butanoate

Systemtic Name: (2R)-2-[(6-ethylquinazolin-4-yl)azaniumyl]-3-methyl-butanoate Openeye Name: (2R)-2-[(6-ethylquinazolin-4-yl)ammonio]-3-methyl-butanoate CAS Name: (2R)-2-[(6-ethyl-4-quinazolinyl)ammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[(6-ethylquinazolin-4-yl)azaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[(6-ethylquinazolin-4-yl)ammonio]-3-methyl-butyrate Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=CN=C2[NH2+]C(C(C)C)C(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=CN=C2[NH2+][C@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C15H19N3O2/c1-4-10-5-6-12-11(7-10)14(17-8-16-12)18-13(9(2)3)15(19)20/h5-9,13H,4H2,1-3H3,(H,19,20)(H,16,17,18)/t13-/m1/s1