4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]quinazoline-7-carboxylate

Systemtic Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]quinazoline-7-carboxylate Openeye Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinazoline-7-carboxylate CAS Name: 4-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-7-quinazolinecarboxylate IUPAC Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinazoline-7-carboxylate Traditional Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinazoline-7-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=C3C=CC(=C4)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=NC=NC4=C3C=CC(=C4)C(=O)[O-]

InChI

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