(2S)-2-[(2-phenylquinazolin-4-yl)azaniumyl]butanedioate

Systemtic Name: (2S)-2-[(2-phenylquinazolin-4-yl)azaniumyl]butanedioate Openeye Name: (2S)-2-[(2-phenylquinazolin-4-yl)ammonio]butanedioate CAS Name: (2S)-2-[(2-phenyl-4-quinazolinyl)ammonio]butanedioate IUPAC Name: (2S)-2-[(2-phenylquinazolin-4-yl)azaniumyl]butanedioate Traditional Name: (2S)-2-[(2-phenylquinazolin-4-yl)ammonio]succinate Formula: C18H14N3O4- MolecularWeight: 336.32146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)[NH2+]C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)[NH2+][C@@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H15N3O4/c22-15(23)10-14(18(24)25)20-17-12-8-4-5-9-13(12)19-16(21-17)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,22,23)(H,24,25)(H,19,20,21)/p-1/t14-/m0/s1