4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]quinazoline-5-carboxylate

Systemtic Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]quinazoline-5-carboxylate Openeye Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinazoline-5-carboxylate CAS Name: 4-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-5-quinazolinecarboxylate IUPAC Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinazoline-5-carboxylate Traditional Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinazoline-5-carboxylate Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=NC=NC4=CC=CC(=C43)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=NC=NC4=CC=CC(=C43)C(=O)[O-]

InChI

InChI=1S/C20H21N5O2/c1-24-9-11-25(12-10-24)15-7-5-14(6-8-15)23-19-18-16(20(26)27)3-2-4-17(18)21-13-22-19/h2-8,13H,9-12H2,1H3,(H,26,27)(H,21,22,23)