4-[4-(4-methylpiperazin-4-ium-1-yl)quinazolin-6-yl]benzoate

Systemtic Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)quinazolin-6-yl]benzoate Openeye Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)quinazolin-6-yl]benzoate CAS Name: 4-[4-(4-methyl-1-piperazin-4-iumyl)-6-quinazolinyl]benzoate IUPAC Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)quinazolin-6-yl]benzoate Traditional Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)quinazolin-6-yl]benzoate Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=NC3=C2C=C(C=C3)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=NC3=C2C=C(C=C3)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H20N4O2/c1-23-8-10-24(11-9-23)19-17-12-16(6-7-18(17)21-13-22-19)14-2-4-15(5-3-14)20(25)26/h2-7,12-13H,8-11H2,1H3,(H,25,26)