4-piperazin-4-ium-1-ylquinazoline-7-carboxylate

Systemtic Name: 4-piperazin-4-ium-1-ylquinazoline-7-carboxylate Openeye Name: 4-piperazin-4-ium-1-ylquinazoline-7-carboxylate CAS Name: 4-(1-piperazin-4-iumyl)-7-quinazolinecarboxylate IUPAC Name: 4-piperazin-4-ium-1-ylquinazoline-7-carboxylate Traditional Name: 4-piperazin-4-ium-1-ylquinazoline-7-carboxylate Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC=NC3=C2C=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC=NC3=C2C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C13H14N4O2/c18-13(19)9-1-2-10-11(7-9)15-8-16-12(10)17-5-3-14-4-6-17/h1-2,7-8,14H,3-6H2,(H,18,19)