4-(4-methylpiperazin-4-ium-1-yl)quinazoline-5-carboxylate

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)quinazoline-5-carboxylate Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)quinazoline-5-carboxylate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-5-quinazolinecarboxylate IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)quinazoline-5-carboxylate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)quinazoline-5-carboxylate Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=NC3=CC=CC(=C32)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=NC3=CC=CC(=C32)C(=O)[O-]

InChI

InChI=1S/C14H16N4O2/c1-17-5-7-18(8-6-17)13-12-10(14(19)20)3-2-4-11(12)15-9-16-13/h2-4,9H,5-8H2,1H3,(H,19,20)