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

Systemtic Name: (2S)-2-(quinazolin-4-ylazaniumyl)hexanoate Openeye Name: (2S)-2-(quinazolin-4-ylammonio)hexanoate CAS Name: (2S)-2-(4-quinazolinylammonio)hexanoate IUPAC Name: (2S)-2-(quinazolin-4-ylazaniumyl)hexanoate Traditional Name: (2S)-2-(quinazolin-4-ylammonio)hexanoate Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2/c1-2-3-7-12(14(18)19)17-13-10-6-4-5-8-11(10)15-9-16-13/h4-6,8-9,12H,2-3,7H2,1H3,(H,18,19)(H,15,16,17)/t12-/m0/s1